Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C10H11NO

Suppliers	Catalog Number
Enamine	EN300-101060

Database	Data ID
PubChem	56828905

M. W.

161.20044

CAS

Similarity

N/A

ID: 235302

(6R)-6-(hydroxymethyl)piperazin-2-one hydrochloride

$$$$ Data

M. F.

C5H11ClN2O2

Suppliers	Catalog Number
Enamine	EN300-101061

Database	Data ID
PubChem	71755477

M. W.

166.60604

CAS

Similarity

N/A

ID: 235303

N-(1-cyanobutyl)benzamide

$$$$ Data

M. F.

C12H14N2O

Suppliers	Catalog Number
Enamine	EN300-101062

Database	Data ID
PubChem	13849688

M. W.

202.25236

CAS

Similarity

N/A

ID: 235304

4-(2-methylphenyl)-1,2,5-oxadiazol-3-amine

$$$$ Data

M. F.

C9H9N3O

Suppliers	Catalog Number
Enamine	EN300-101063

Database	Data ID
PubChem	14021893

M. W.

175.18726

CAS

Similarity

N/A

ID: 235305

4-methyl-3-(pyridin-3-yl)-1,2-oxazol-5-amine

$$$$ Data

M. F.

C9H9N3O

Suppliers	Catalog Number
Enamine	EN300-101064

Database	Data ID
PubChem	33784076

M. W.

175.18726

CAS

Similarity

N/A

ID: 235306

4-(4-bromophenyl)-1,2,5-oxadiazol-3-amine

$$$$ Data

M. F.

C8H6BrN3O

Suppliers	Catalog Number
Enamine	EN300-101065

Database	Data ID
PubChem	13230339

M. W.

240.05674

CAS

Similarity

N/A

ID: 235307

4-(3-chlorophenyl)-1,2,5-oxadiazol-3-amine

$$$$ Data

M. F.

C8H6ClN3O

Suppliers	Catalog Number
Enamine	EN300-101067

Database	Data ID
PubChem	28907848

M. W.

195.60574

CAS

Similarity

N/A

ID: 235308

2-chloro-1-(4-fluoro-3-methylphenyl)ethan-1-one

$$$$ Data

M. F.

C9H8ClFO

Suppliers	Catalog Number
Enamine	EN300-101068

Database	Data ID
PubChem	39104269

M. W.

186.6106232

CAS

Similarity

N/A

ID: 235309

2-methoxypropanethioamide

$$$$ Data

M. F.

C4H9NOS

Suppliers	Catalog Number
Enamine	EN300-101069

Database	Data ID
PubChem	57240942

M. W.

119.18536

CAS

Similarity

N/A

ID: 235310

1-(4-fluorophenyl)-3-(4-methylphenyl)-1H-pyrazole-4-carbaldehyde

$$$$ Data

M. F.

C17H13FN2O

Suppliers	Catalog Number
Enamine	EN300-10107

Database	Data ID
PubChem	1051907

M. W.

280.2963232

CAS

618098-56-9

Similarity

N/A

ID: 235311

ethyl 2-(aminomethyl)-4-methyl-1,3-thiazole-5-carboxylate

$$$$ Data

M. F.

C8H12N2O2S

Suppliers	Catalog Number
Enamine	EN300-101070

Database	Data ID
PubChem	24274661

M. W.

200.25808

CAS

Similarity

N/A

ID: 235312

4-(2,4-dichlorophenyl)-1,2,5-oxadiazol-3-amine

$$$$ Data

M. F.

C8H5Cl2N3O

Suppliers	Catalog Number
Enamine	EN300-101072

Database	Data ID
PubChem	28907853

M. W.

230.0508

CAS

Similarity

N/A

ID: 235313

N-{2-[5-(2-chloroacetyl)-2-fluorophenyl]ethyl}acetamide

$$$$ Data

M. F.

C12H13ClFNO2

Suppliers	Catalog Number
Enamine	EN300-101073

Database	Data ID
PubChem	71755478

M. W.

257.6885232

CAS

Similarity

N/A

ID: 235314

4-(3-methylphenyl)-1,2,5-oxadiazol-3-amine

$$$$ Data

M. F.

C9H9N3O

Suppliers	Catalog Number
Enamine	EN300-101074

Database	Data ID
PubChem	14021894

M. W.

175.18726

CAS

Similarity

N/A

ID: 235315

4-amino-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one hydrochloride

$$$$ Data

M. F.

C11H12ClF3N2O

Suppliers	Catalog Number
Enamine	EN300-101076

Database	Data ID
PubChem	71755479

M. W.

280.6739896

CAS

Similarity

N/A

ID: 235316

2-(1-methoxyethyl)-1,3-thiazole-4-carboxylic acid

$$$$ Data

M. F.

C7H9NO3S

Suppliers	Catalog Number
Enamine	EN300-101077

Database	Data ID
PubChem	71755480

M. W.

187.21626

CAS

Similarity

N/A

ID: 235317

3-(3-methylphenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid

$$$$ Data

M. F.

C17H14N2O2

Suppliers	Catalog Number
Enamine	EN300-10108

Database	Data ID
PubChem	2512594

M. W.

278.30526

CAS

Similarity

N/A

ID: 235318

4-methanesulfonylpyridin-3-amine hydrochloride

$$$$ Data

M. F.

C6H9ClN2O2S

Suppliers	Catalog Number
Enamine	EN300-101085

Database	Data ID
PubChem	71755481

M. W.

208.66586

CAS

Similarity

N/A

ID: 235319

1-(4-bromo-3-fluorophenyl)propan-2-ol

$$$$ Data

M. F.

C9H10BrFO

Suppliers	Catalog Number
Enamine	EN300-101089

Database	Data ID
PubChem	71755482

M. W.

233.0775032

CAS

Similarity

N/A

ID: 235320

2-(5-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetic acid

$$$$ Data

M. F.

C10H6N2O6

Suppliers	Catalog Number
ChemBridge	5238666
Enamine	EN300-10109

Database	Data ID
PubChem	272737

M. W.

250.16444

CAS

10133-88-7

Similarity

N/A

ID: 235321

1-(4-bromo-3-fluorophenyl)propan-2-one

$$$$ Data

M. F.

C9H8BrFO

Suppliers	Catalog Number
Enamine	EN300-101090

Database	Data ID
PubChem	71755483

M. W.

231.0616232

CAS

Similarity

N/A

ID: 235322

1-(3-methoxyphenyl)-2-(oxolan-2-yl)ethan-1-one

$$$$ Data

M. F.

C13H16O3

Suppliers	Catalog Number
Enamine	EN300-101091

Database	Data ID
PubChem	60798652

M. W.

220.26434

CAS

Similarity

N/A

ID: 235323

N-butyl-1,1-dioxo-2,5-dihydro-1λ⁶-thiophene-3-sulfonamide

$$$$ Data

M. F.

C8H15NO4S2

Suppliers	Catalog Number
Enamine	EN300-101096

Database	Data ID
PubChem	71755484

M. W.

253.339

CAS

Similarity

N/A

ID: 235324

pentacyclo[6.3.0.0²,⁶.0³,¹⁰

$$$$ Data

M. F.

C11H15N

Suppliers	Catalog Number
Enamine	EN300-101097

Database	Data ID
PubChem	71755485

M. W.

161.2435

CAS

Similarity

N/A

ID: 235325

N-benzyl-1,1-dioxo-2,5-dihydro-1λ⁶-thiophene-3-sulfonamide

$$$$ Data

M. F.

C11H13NO4S2

Suppliers	Catalog Number
Enamine	EN300-101098

Database	Data ID
PubChem	56693020

M. W.

287.35522

CAS

Similarity

N/A

ID: 235326

N-methylpentacyclo[6.3.0.0²,⁶.0³,¹

$$$$ Data

M. F.

C12H17N

Suppliers	Catalog Number
Enamine	EN300-101099

Database	Data ID
PubChem	71755486

M. W.

175.27008

CAS

Similarity

N/A

ID: 235327

4-carbamoyl-2-[3-(trifluoromethyl)benzenesulfonamido]butanoic acid

$$$$ Data

M. F.

C12H13F3N2O5S

Suppliers	Catalog Number
Enamine	EN300-10110

Database	Data ID
PubChem	3571208

M. W.

354.3022296

CAS

Similarity

N/A

ID: 235328

N-ethylpentacyclo[6.3.0.0²,⁶.0³,¹

$$$$ Data

M. F.

C13H19N

Suppliers	Catalog Number
Enamine	EN300-101101

Database	Data ID
PubChem	71755487

M. W.

189.29666

CAS

Similarity

N/A

ID: 235329

N-(propan-2-yl)pentacyclo[6.3.0.0²,⁶.0³,^1<...

$$$$ Data

M. F.

C14H21N

Suppliers	Catalog Number
Enamine	EN300-101102

Database	Data ID
PubChem	71755488

M. W.

203.32324

CAS

Similarity

N/A

ID: 235330

N-cyclopropylpentacyclo[6.3.0.0²,⁶.0³,¹

$$$$ Data

M. F.

C14H19N

Suppliers	Catalog Number
Enamine	EN300-101104

Database	Data ID
PubChem	71755489

M. W.

201.30736

CAS

Similarity

N/A

ID: 235331

3-(pyrrolidine-1-sulfonyl)-2,5-dihydro-1λ⁶-thiophene-1,1-dione

$$$$ Data

M. F.

C8H13NO4S2

Suppliers	Catalog Number
Enamine	EN300-101105

Database	Data ID
PubChem	71755490

M. W.

251.32312

CAS

Similarity

N/A

ID: 235332

N-propylpentacyclo[6.3.0.0²,⁶.0³,¹

$$$$ Data

M. F.

C14H21N

Suppliers	Catalog Number
Enamine	EN300-101106

Database	Data ID
PubChem	71755491

M. W.

203.32324

CAS

Similarity

N/A

ID: 235333

2,4-dimethoxybenzene-1-carbothioamide

$$$$ Data

M. F.

C9H11NO2S

Suppliers	Catalog Number
Enamine	EN300-10111

Database	Data ID
PubChem	3857241

M. W.

197.25414

CAS

23822-07-3

Similarity

N/A

ID: 235334

4-(2-methylphenyl)-1,7λ⁶-dithia-4-azaspiro[4.4]nonane-3,7,7-trione

$$$$ Data

M. F.

C13H15NO3S2

Suppliers	Catalog Number
Enamine	EN300-101110

Database	Data ID
PubChem	22694169

M. W.

297.3931

CAS

Similarity

N/A

ID: 235335

3-phenyl-2,3-dihydro-1λ⁶-thiophene-1,1-dione

$$$$ Data

M. F.

C10H10O2S

Suppliers	Catalog Number
Enamine	EN300-101112

Database	Data ID
PubChem	282950

M. W.

194.2502

CAS

Similarity

N/A

ID: 235336

3-(benzylsulfanyl)-2,3-dihydro-1λ⁶-benzothiophene-1,1-dione

$$$$ Data

M. F.

C15H14O2S2

Suppliers	Catalog Number
Enamine	EN300-101113

Database	Data ID
PubChem	22092215

M. W.

290.40046

CAS

Similarity

N/A

ID: 235337

(3S)-3-amino-3-(3-chlorophenyl)propanamide

$$$$ Data

M. F.

C9H11ClN2O

Suppliers	Catalog Number
Enamine	EN300-101115

Database	Data ID
PubChem	29060041

M. W.

198.64944

CAS

Similarity

N/A

ID: 235338

4-(3-methoxypropoxy)benzoic acid

$$$$ Data

M. F.

C11H14O4

Suppliers	Catalog Number
Enamine	EN300-101117

Database	Data ID
PubChem	17606908

M. W.

210.22646

CAS

Similarity

N/A

ID: 235339

7-chloro-3-pentyl-2-sulfanyl-3,4-dihydroquinazolin-4-one

$$$$ Data

M. F.

C13H15ClN2OS

Suppliers	Catalog Number
Enamine	EN300-10112

Database	Data ID
PubChem	2125339

M. W.

282.789

CAS

Similarity

N/A

ID: 235340

5-bromo-2-methylpyrimidin-4-amine

$$$$ Data

M. F.

C5H6BrN3

Suppliers	Catalog Number
Enamine	EN300-101120

Database	Data ID
PubChem	44725693

M. W.

188.02524

CAS

Similarity

N/A

ID: 235341

1-(2-methoxy-5-methylphenyl)-3-methylbutan-2-amine

$$$$ Data

M. F.

C13H21NO

Suppliers	Catalog Number
Enamine	EN300-101122

Database	Data ID
PubChem	62161364

M. W.

207.31194

CAS

Similarity

N/A

ID: 235342

2-(6-methoxypyridin-2-yl)acetic acid

$$$$ Data

M. F.

C8H9NO3

Suppliers	Catalog Number
Enamine	EN300-101123
A&J Pharmtech	AJA-O21330

Database	Data ID
PubChem	63984497

M. W.

167.16196

CAS

944896-97-3

Similarity

N/A

ID: 235343

4-(2-iodophenoxy)piperidine

$$$$ Data

M. F.

C11H14INO

Suppliers	Catalog Number
Enamine	EN300-101125

Database	Data ID
PubChem	56831167

M. W.

303.13943

CAS

Similarity

N/A

ID: 235344

1-bromocyclopentane-1-carboxylic acid

$$$$ Data

M. F.

C6H9BrO2

Suppliers	Catalog Number
Enamine	EN300-101126

Database	Data ID
PubChem	13411841

M. W.

193.03846

CAS

Similarity

N/A

ID: 235345

(4-methylcyclohexyl)hydrazine hydrochloride

$$$$ Data

M. F.

C7H17ClN2

Suppliers	Catalog Number
Enamine	EN300-101128

Database	Data ID
PubChem	23024304

M. W.

164.67628

CAS

Similarity

N/A

ID: 235346

2-amino-N-(3,5-dimethoxyphenyl)acetamide hydrochloride

$$$$ Data

M. F.

C10H15ClN2O3

Suppliers	Catalog Number
Enamine	EN300-101129

Database	Data ID
PubChem	71755492

M. W.

246.6907

CAS

Similarity

N/A

ID: 235347

5-[(prop-2-en-1-yl)amino]-1,3,4-thiadiazole-2-thiol

$$$$ Data

M. F.

C5H7N3S2

Suppliers	Catalog Number
Enamine	EN300-10113

Database	Data ID
PubChem	1627090

M. W.

173.25918

CAS

Similarity

N/A

ID: 235348

bis(4-(4-methoxyphenyl)piperazine-1-carboximidamide); sulfuric acid

$$$$ Data

M. F.

C24H38N8O6S

Suppliers	Catalog Number
Enamine	EN300-101131

Database	Data ID
PubChem	71755493

M. W.

566.67352

CAS

Similarity

N/A

ID: 235349

1-(4-azidophenyl)-2-(piperidin-1-yl)ethan-1-one

$$$$ Data

M. F.

C13H16N4O

Suppliers	Catalog Number
Enamine	EN300-101133

Database	Data ID
PubChem	4829278

M. W.

244.29234

CAS

Similarity

N/A

ID: 235350

1-(thiolan-3-yl)piperazine dihydrochloride

$$$$ Data

M. F.

C8H18Cl2N2S

Suppliers	Catalog Number
Enamine	EN300-101135

Database	Data ID
PubChem	71755494

M. W.

245.21292

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