Chembase list of 866358 unique molecular structures

4-amino-N-(3-ethoxypropyl)benzene-1-sulfonamide

$$$$ Data

M. F.

C11H18N2O3S

Suppliers	Catalog Number
Matrix Scientific	063480

Database	Data ID
PubChem	16489203

M. W.

258.33722

CAS

Similarity

N/A

ID: 58302

4-(1-butyl-5-oxopyrrolidine-3-amido)benzoic acid

$$$$ Data

M. F.

C16H20N2O4

Suppliers	Catalog Number
Matrix Scientific	063481

Database	Data ID
PubChem	46318322

M. W.

304.341

CAS

Similarity

N/A

ID: 58303

3-(2-ethylbutanamido)benzoic acid

$$$$ Data

M. F.

C13H17NO3

Suppliers	Catalog Number
ChemBridge	9070506
Matrix Scientific	063482

Database	Data ID
PubChem	4778016

M. W.

235.27898

CAS

915923-97-6

Similarity

N/A

ID: 58304

1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylic acid

$$$$ Data

M. F.

C18H22N2O4

Suppliers	Catalog Number
Matrix Scientific	063483

Database	Data ID
PubChem	42649910

M. W.

330.37828

CAS

Similarity

N/A

ID: 58305

1-benzamidocyclohexane-1-carboxylic acid

$$$$ Data

M. F.

C14H17NO3

Suppliers	Catalog Number
Matrix Scientific	063484

Database	Data ID
PubChem	22238039

M. W.

247.28968

CAS

Similarity

N/A

ID: 58306

N-(2-hydroxyethyl)-N-methylacetamide

$$$$ Data

M. F.

C5H11NO2

Suppliers	Catalog Number
ChemBridge	4036108
Matrix Scientific	063485

Database	Data ID
PubChem	10510843

M. W.

117.14634

CAS

15567-95-0

Similarity

N/A

ID: 58307

4-(5-amino-1,3,4-thiadiazol-2-yl)-1-(2-ethylphenyl)pyrrolidin-2-one

$$$$ Data

M. F.

C14H16N4OS

Suppliers	Catalog Number
Matrix Scientific	063486

Database	Data ID
PubChem	46318323

M. W.

288.36804

CAS

Similarity

N/A

ID: 58308

4-(5-amino-1,3,4-thiadiazol-2-yl)-1-(2,4-dimethylphenyl)pyrrolidin-2-one

$$$$ Data

M. F.

C14H16N4OS

Suppliers	Catalog Number
Matrix Scientific	063487

Database	Data ID
PubChem	46318324

M. W.

288.36804

CAS

Similarity

N/A

ID: 58309

1-(4-acetamidophenyl)-5-oxopyrrolidine-3-carboxylic acid

$$$$ Data

M. F.

C13H14N2O4

Suppliers	Catalog Number
Matrix Scientific	063488
Enamine	EN300-42317

Database	Data ID
PubChem	3153801

M. W.

262.26126

CAS

Similarity

N/A

ID: 58310

1-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid

$$$$ Data

M. F.

C12H12ClNO3

Suppliers	Catalog Number
Matrix Scientific	063489
Enamine	EN300-77152

Database	Data ID
PubChem	2967051

M. W.

253.68158

CAS

Similarity

N/A

ID: 58311

1-(3-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid

$$$$ Data

M. F.

C11H9ClFNO3

Suppliers	Catalog Number
Matrix Scientific	063490
InterBioScreen	BB_SC-5848

Database	Data ID
PubChem	2967083

M. W.

257.6454632

CAS

Similarity

N/A

ID: 58312

2-(5-methyl-1,2-oxazol-3-yl)piperidine

$$$$ Data

M. F.

C9H14N2O

Suppliers	Catalog Number
ChemBridge	4036166
Matrix Scientific	063491

Database	Data ID
PubChem	46785747

M. W.

166.22026

CAS

1211509-70-4

Similarity

N/A

ID: 58313

2-(2-methylpropyl)-1H-imidazole

$$$$ Data

M. F.

C7H12N2

Suppliers	Catalog Number
ChemBridge	4039941
Matrix Scientific	063492

Database	Data ID
PubChem	109093

M. W.

124.18358

CAS

61491-92-7

Similarity

N/A

ID: 58314

3-cyclopropyl-4-methyl-4H-1,2,4-triazole

$$$$ Data

M. F.

C6H9N3

Suppliers	Catalog Number
ChemBridge	4040407
Matrix Scientific	063493
Enamine	EN300-64083

Database	Data ID
PubChem	46318327

M. W.

123.15576

CAS

1217862-57-1

Similarity

N/A

ID: 58315

N-(2-sulfanylphenyl)acetamide

$$$$ Data

M. F.

C8H9NOS

Suppliers	Catalog Number
Matrix Scientific	063494

Database	Data ID
PubChem	11252219

M. W.

167.22816

CAS

Similarity

N/A

ID: 58316

[1H-indol-3-yl(phenyl)methyl](methyl)amine

$$$$ Data

M. F.

C16H16N2

Suppliers	Catalog Number
Matrix Scientific	063495

Database	Data ID
PubChem	11322318

M. W.

236.31164

CAS

Similarity

N/A

ID: 58317

4-methyl-1,2,5-oxadiazole-3-carbohydrazide

$$$$ Data

M. F.

C4H6N4O2

Suppliers	Catalog Number
Matrix Scientific	063496

Database	Data ID
PubChem	36181

M. W.

142.11604

CAS

Similarity

N/A

ID: 58318

4-(3-methyl-4-nitro-1H-pyrazol-5-yl)morpholine

$$$$ Data

M. F.

C8H12N4O3

Suppliers	Catalog Number
Matrix Scientific	063497

Database	Data ID
PubChem	3089363

M. W.

212.20588

CAS

Similarity

N/A

ID: 58319

2-[(4-nitro-1H-pyrazol-3-yl)sulfanyl]-1,3-benzothiazole

$$$$ Data

M. F.

C10H6N4O2S2

Suppliers	Catalog Number
Matrix Scientific	063498

Database	Data ID
PubChem	46318328

M. W.

278.31024

CAS

Similarity

N/A

ID: 58320

1-methylazepan-4-one

$$$$ Data

M. F.

C7H13NO

Suppliers	Catalog Number
Matrix Scientific	063499
Bide Pharmatech	BD19018

Database	Data ID
PubChem	262586

M. W.

127.18422

CAS

1859-33-2

Similarity

N/A

ID: 58321

6-methyl-2,3-dihydro-1,3-benzoxazol-2-one

$$$$ Data

M. F.

C8H7NO2

Suppliers	Catalog Number
Matrix Scientific	063500
Apollo Scientific	OR27764

Database	Data ID
PubChem	322634

M. W.

149.14668

CAS

Similarity

N/A

ID: 58322

5-methyl-2,3-dihydro-1,3-benzoxazol-2-one

$$$$ Data More

M. F.

C8H7NO2

Suppliers	Catalog Number
ChemBridge	4035617
Matrix Scientific	063501
Apollo Scientific	OR27763

Database	Data ID
PubChem	322632

M. W.

149.14668

CAS

22876-15-9

Similarity

N/A

ID: 58323

6-fluoro-2,3-dihydro-1,3-benzoxazol-2-one

$$$$ Data

M. F.

C7H4FNO2

Suppliers	Catalog Number
Sigma Aldrich	705500
ChemBridge	4041178
Matrix Scientific	063502

Database	Data ID
PubChem	14457358

M. W.

153.1105632

CAS

2923-94-6

Similarity

N/A

ID: 58324

3-(4H-1,2,4-triazol-3-ylsulfanyl)pentane-2,4-dione

$$$$ Data

M. F.

C7H9N3O2S

Suppliers	Catalog Number
Matrix Scientific	063503

Database	Data ID
PubChem	17838744

M. W.

199.23026

CAS

Similarity

N/A

ID: 58325

ethyl 3-(2-oxoazepan-1-yl)propanoate

$$$$ Data

M. F.

C11H19NO3

Suppliers	Catalog Number
Matrix Scientific	063504

Database	Data ID
PubChem	14922094

M. W.

213.27346

CAS

Similarity

N/A

ID: 58326

5-(pyrazin-2-yl)-1,3,4-oxadiazol-2-ol

$$$$ Data

M. F.

C6H4N4O2

Suppliers	Catalog Number
Matrix Scientific	063505

Database	Data ID
PubChem	45268253

M. W.

164.12156

CAS

Similarity

N/A

ID: 58327

2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carbaldehyde

$$$$ Data

M. F.

C10H11NO2

Suppliers	Catalog Number
Matrix Scientific	063506

Database	Data ID
PubChem	46318330

M. W.

177.19984

CAS

Similarity

N/A

ID: 58328

(E)-N-(thiophen-3-ylmethylidene)hydroxylamine

$$$$ Data

M. F.

C5H5NOS

Suppliers	Catalog Number
Alfa Aesar	L13114
Matrix Scientific	063507
Apollo Scientific	OR27204

Database	Data ID
PubChem	9582358

M. W.

127.1643

CAS

42466-50-2

Similarity

N/A

ID: 58329

(E)-N-(thiophen-2-ylmethylidene)hydroxylamine

$$$$ Data

M. F.

C5H5NOS

Suppliers	Catalog Number
Alfa Aesar	L10961
Matrix Scientific	063508
Bide Pharmatech	BD153954

Database	Data ID
PubChem	6876527

M. W.

127.1643

CAS

29683-84-9

Similarity

N/A

ID: 58330

5-amino-3-(2-methoxyphenyl)-1,2-oxazole-4-carboxamide

$$$$ Data

M. F.

C11H11N3O3

Suppliers	Catalog Number
Matrix Scientific	063509

Database	Data ID
PubChem	45032990

M. W.

233.22334

CAS

Similarity

N/A

ID: 58331

5-amino-3-(3-nitrophenyl)-1,2-oxazole-4-carboxamide

$$$$ Data

M. F.

C10H8N4O4

Suppliers	Catalog Number
Matrix Scientific	063510

Database	Data ID
PubChem	45032991

M. W.

248.19492

CAS

Similarity

N/A

ID: 58332

5-amino-3-(3-chlorophenyl)-1,2-oxazole-4-carboxamide

$$$$ Data

M. F.

C10H8ClN3O2

Suppliers	Catalog Number
Matrix Scientific	063511

Database	Data ID
PubChem	45032992

M. W.

237.64242

CAS

Similarity

N/A

ID: 58333

5-amino-3-(4-ethoxyphenyl)-1,2-oxazole-4-carboxamide

$$$$ Data

M. F.

C12H13N3O3

Suppliers	Catalog Number
Matrix Scientific	063512

Database	Data ID
PubChem	45032993

M. W.

247.24992

CAS

Similarity

N/A

ID: 58334

3-[(4-fluorophenyl)amino]cyclohex-2-en-1-one

$$$$ Data

M. F.

C12H12FNO

Suppliers	Catalog Number
Matrix Scientific	063513

Database	Data ID
PubChem	2748639

M. W.

205.2281832

CAS

Similarity

N/A

ID: 58335

3-[(2-fluorophenyl)amino]cyclohex-2-en-1-one

$$$$ Data

M. F.

C12H12FNO

Suppliers	Catalog Number
Matrix Scientific	063514

Database	Data ID
PubChem	3265055

M. W.

205.2281832

CAS

Similarity

N/A

ID: 58336

3-[(3-methylphenyl)amino]cyclohex-2-en-1-one

$$$$ Data

M. F.

C13H15NO

Suppliers	Catalog Number
Matrix Scientific	063515

Database	Data ID
PubChem	2748628

M. W.

201.2643

CAS

Similarity

N/A

ID: 58337

3-[(5-chloro-2-methylphenyl)amino]cyclohex-2-en-1-one

$$$$ Data

M. F.

C13H14ClNO

Suppliers	Catalog Number
Matrix Scientific	063516

Database	Data ID
PubChem	11096578

M. W.

235.70936

CAS

Similarity

N/A

ID: 58338

3-[(4-chlorophenyl)amino]-5,5-dimethylcyclohex-2-en-1-one

$$$$ Data

M. F.

C14H16ClNO

Suppliers	Catalog Number
Matrix Scientific	063517

Database	Data ID
PubChem	744723

M. W.

249.73594

CAS

Similarity

N/A

ID: 58339

3-[(4-iodophenyl)amino]cyclohex-2-en-1-one

$$$$ Data

M. F.

C12H12INO

Suppliers	Catalog Number
Matrix Scientific	063518

Database	Data ID
PubChem	3467952

M. W.

313.13425

CAS

Similarity

N/A

ID: 58340

3-[(3-nitrophenyl)amino]cyclohex-2-en-1-one

$$$$ Data

M. F.

C12H12N2O3

Suppliers	Catalog Number
Matrix Scientific	063519

Database	Data ID
PubChem	2748632

M. W.

232.23528

CAS

Similarity

N/A

ID: 58341

3-{[2-chloro-5-(trifluoromethyl)phenyl]amino}cyclohex-2-en-1-one

$$$$ Data

M. F.

C13H11ClF3NO

Suppliers	Catalog Number
Matrix Scientific	063520

Database	Data ID
PubChem	45033003

M. W.

289.6807496

CAS

Similarity

N/A

ID: 58342

3-[(2,4-dichlorophenyl)amino]cyclohex-2-en-1-one

$$$$ Data

M. F.

C12H11Cl2NO

Suppliers	Catalog Number
Matrix Scientific	063521

Database	Data ID
PubChem	45032994

M. W.

256.12784

CAS

Similarity

N/A

ID: 58343

5,5-dimethyl-3-[(3-nitrophenyl)amino]cyclohex-2-en-1-one

$$$$ Data

M. F.

C14H16N2O3

Suppliers	Catalog Number
Matrix Scientific	063522

Database	Data ID
PubChem	4149182

M. W.

260.28844

CAS

61997-86-2

Similarity

N/A

ID: 58344

3-[(naphthalen-1-yl)amino]cyclohex-2-en-1-one

$$$$ Data

M. F.

C16H15NO

Suppliers	Catalog Number
Matrix Scientific	063523

Database	Data ID
PubChem	786616

M. W.

237.2964

CAS

Similarity

N/A

ID: 58345

3-[(3-fluorophenyl)amino]cyclohex-2-en-1-one

$$$$ Data

M. F.

C12H12FNO

Suppliers	Catalog Number
Matrix Scientific	063524

Database	Data ID
PubChem	643356

M. W.

205.2281832

CAS

Similarity

N/A

ID: 58346

3-[(2,3-dichlorophenyl)amino]cyclohex-2-en-1-one

$$$$ Data

M. F.

C12H11Cl2NO

Suppliers	Catalog Number
Matrix Scientific	063525

Database	Data ID
PubChem	3073065

M. W.

256.12784

CAS

Similarity

N/A

ID: 58347

3-{[4-(trifluoromethyl)phenyl]amino}cyclohex-2-en-1-one

$$$$ Data

M. F.

C13H12F3NO

Suppliers	Catalog Number
Matrix Scientific	063526

Database	Data ID
PubChem	2748627

M. W.

255.2356896

CAS

Similarity

N/A

ID: 58348

3-[(4-bromophenyl)amino]cyclohex-2-en-1-one

$$$$ Data

M. F.

C12H12BrNO

Suppliers	Catalog Number
Matrix Scientific	063527

Database	Data ID
PubChem	2748640

M. W.

266.13378

CAS

Similarity

N/A

ID: 58349

3-[(2-fluorophenyl)amino]-5,5-dimethylcyclohex-2-en-1-one

$$$$ Data

M. F.

C14H16FNO

Suppliers	Catalog Number
Matrix Scientific	063528

Database	Data ID
PubChem	685191

M. W.

233.2813432

CAS

Similarity

N/A

ID: 58350

3-[(5-methyl-1,2-oxazol-3-yl)amino]cyclohex-2-en-1-one

$$$$ Data

M. F.

C10H12N2O2

Suppliers	Catalog Number
Matrix Scientific	063529

Database	Data ID
PubChem	45032995

M. W.

192.21448

CAS

Similarity

N/A

Part I: Carbon
- I.1: Carbon-Carbon Bonds
- I.1.1 Alkanes
- Primary carbon
- Secondary carbon
- Tertiary carbon
- Quaternary carbon
- I.1.2 C-C double and Triple Bonds
- Alkene
- Alkyne
- Allene
- I.2: One Carbon-Hetero Bond
- I.2.1 Alkyl Halogenides
- Alkylchloride
- Alkylfluoride
- Alkylbromide
- Alkyliodide
- I.2.2 Alcohols and Ethers
- Alcohol
- Primary alcohol
- Secondary alcohol
- Tertiary alcohol
- Dialkylether
- Dialkylthioether
- Alkylarylether
- Diarylether
- Alkylarylthioether
- Diarylthioether
- Oxonium
- I.2.3 Amines
- Amine
- Primary aliphatic amine
- Secondary aliphatic amine
- Tertiary aliphatic amine
- Quaternary aliphatic ammonium
- Primary aromatic amine
- Secondary aromatic amine
- Tertiary aromatic amine
- Quaternary aromatic ammonium
- Secondary mixed amine
- Tertiary mixed amine
- Quaternary mixed ammonium
- Ammonium
- I.2.4 Others
- Alkylthiol
- Dialkylthioether
- Alkylarylthioether
- Disulfide
- 1,2-Aminoalcohol
- 1,2-Diol
- 1,1-Diol
- Hydroperoxide
- Peroxo
- Organolithium compounds
- Organomagnesium compounds
- Organometallic compounds
- I.3: Two Carbon-Hetero Bonds (Carbonyl and Derivatives)
- I.3.1 Double Bond to Hetero
- Aldehyde
- Ketone
- Thioaldehyde
- Thioketone
- Imine
- Immonium
- Oxime
- Oximether
- I.3.2. Two Single Bonds to Hetero
- Acetal
- Hemiacetal
- Aminal
- Hemiaminal
- Thioacetal
- Thiohemiacetal
- Halogen acetal like
- Acetal like
- Halogenmethylen ester and similar
- NOS methylen ester and similar
- Hetero methylen ester and similar
- Cyanhydrine
- I.3.3 Single Bond to Hetero, C=C Double Bond (Enols and Similar)
- Chloroalkene
- Fluoroalkene
- Bromoalkene
- Iodoalkene
- Enol
- Endiol
- Enolether
- Enolester
- Enamine
- Thioenol
- Thioenolether
- I.4: Three Carbon-Hetero Bonds (Carboxyl and Derivatives)
- Acylchloride
- Acylfluoride
- Acylbromide
- Acyliodide
- Acylhalide
- Carboxylic acid
- Carboxylic ester
- Lactone
- Carboxylic anhydride
- Carboxylic acid derivative
- Carbothioic acid
- Carbothioic S ester
- Carbothioic S lactone
- Carbothioic O ester
- Carbothioic O lactone
- Carbothioic halide
- Carbodithioic acid
- Carbodithioic ester
- Carbodithiolactone
- Amide
- Primary amide
- Secondary amide
- Tertiary amide
- Lactam
- Alkyl imide
- N hetero imide
- Imide acidic
- Thioamide
- Thiolactam
- Oximester
- Amidine
- Hydroxamic acid
- Hydroxamic acid ester
- Imidoacid
- Imidoacid cyclic
- Imidoester
- Imidolactone
- Imidothioacid
- Imidothioacid cyclic
- Imidothioester
- Imidothiolactone
- Amidine
- Imidolactam
- Imidoylhalide
- Imidoylhalide cyclic
- Amidrazone
- Alpha aminoacid
- Alpha hydroxyacid
- Peptide middle
- Peptide C term
- Peptide N term
- Carboxylic orthoester
- Ketene
- Ketenacetal
- Nitrile
- Isonitrile
- Vinylogous carbonyl or carboxyl derivative
- Vinylogous acid
- Vinylogous ester
- Vinylogous amide
- Vinylogous halide
- I.5: Four Carbon-Hetero Bonds (Carbonic Acid and Derivatives)
- Carbonic acid dieester
- Carbonic acid esterhalide
- Carbonic acid monoester
- Carbonic acid derivatives
- Thiocarbonic acid dieester
- Thiocarbonic acid esterhalide
- Thiocarbonic acid monoester
- Urea
- Thiourea
- Isourea
- Isothiourea
- Guanidine
- Carbaminic acid
- Urethan(Carbamate ester)
- Biuret
- Semicarbazide
- Carbazide
- Semicarbazone
- Carbazone
- Thiosemicarbazide
- Thiocarbazide
- Thiosemicarbazone
- Thiocarbazone
- Isocyanate
- Cyanate
- Isothiocyanate
- Thiocyanate
- Carbodiimide
- Orthocarbonic derivatives
- I.6 Aromatics
- Phenol
- 1,2-Diphenol
- Arylchloride
- Arylfluoride
- Arylbromide
- Aryliodide
- Arylthiol
- Iminoarene
- Oxoarene
- Thioarene
- Hetero N basic H
- Hetero N basic no H
- Hetero N nonbasic
- Hetero O
- Hetero S
- Heteroaromatic
Part II: N, S, P, Si, B
- II.1 Nitrogen
- Nitrite
- Thionitrite
- Nitrate
- Nitro
- Nitroso
- Azide
- Acylazide
- Diazo
- Diazonium
- Nitrosamine
- Nitrosamide
- N-Oxide
- Hydrazine
- Hydrazone
- Hydroxylamine
- II.2 Sulfur
- Sulfon
- Sulfoxide
- Sulfonium
- Sulfuric acid
- Sulfuric monoester
- Sulfuric diester
- Sulfuric monoamide
- Sulfuric diamide
- Sulfuric esteramide
- Sulfuric derivative
- Sulfonic acid
- Sulfonamide
- Sulfonic ester
- Sulfonic halide
- Sulfonic derivative
- Sulfinic acid
- Sulfinic amide
- Sulfinic ester
- Sulfinic halide
- Sulfinic derivative
- Sulfenic acid
- Sulfenic amide
- Sulfenic ester
- Sulfenic halide
- Sulfenic derivative
- II.3 Phosphorous
- Phosphine
- Phosphine oxide
- Phosphonium
- Phosphorylen
- Phosphonic acid
- Phosphonic monoester
- Phosphonic diester
- Phosphonic monoamide
- Phosphonic diamide
- Phosphonic esteramide
- Phosphonic acid derivative
- Phosphoric acid
- Phosphoric monoester
- Phosphoric diester
- Phosphoric triester
- Phosphoric monoamide
- Phosphoric diamide
- Phosphoric triamide
- Phosphoric monoestermonoamide
- Phosphoric diestermonoamide
- Phosphoric monoesterdiamide
- Phosphoric acid derivative
- Phosphinic acid
- Phosphinic ester
- Phosphinic amide
- Phosphinic acid derivative
- Phosphonous acid
- Phosphonous monoester
- Phosphonous diester
- Phosphonous monoamide
- Phosphonous diamide
- Phosphonous esteramide
- Phosphonous derivatives
- Phosphinous acid
- Phosphinous ester
- Phosphinous amide
- Phosphinous derivatives
- II.4 Silicon
- Quart silane
- Non-quart silane
- Silylmonohalide
- Het trialkylsilane
- Dihet dialkylsilane
- Trihet alkylsilane
- Silicic acid derivative
- II.5 Boron
- Trialkylborane
- Boric acid derivatives
- Boronic acid derivative
- Borohydride
- Quaternary boron
Part III: Some Special Patterns
- III.1 Chains
- III.2 Rings
- Aromatic
- Heterocyclic
- Epoxide
- NH aziridine
- Spiro
- Annelated rings
- Bridged rings
- III.3 Sugars and Nucleosides/Nucleotides, Steroids
- Sugar pattern 1
- Sugar pattern 2
- Sugar pattern combi
- Sugar pattern 2 reducing
- Sugar pattern 2 alpha
- Sugar pattern 2 beta
- III.4 Everything else...
- Conjugated double bond
- Conjugated tripple bond
- Cis double bond
- Trans double bond
- Mixed anhydrides
- Halogen on hetero
- Halogen multi subst
- Trifluoromethyl
- C ONS bond
- Charged
- Anion
- Kation
- Salt
- 1,3-Tautomerizable
- 1,5-Tautomerizable
- Rotatable bond
- Michael acceptor
- Dicarbodiazene
- CH-acidic
- CH-acidic strong
- Chiral center specified