Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C9H7N3O2

Suppliers	Catalog Number
Enamine	EN300-93544

Database	Data ID
PubChem	13126927

M. W.

189.17078

CAS

Similarity

N/A

ID: 284152

6-chloro-5-methyl-2-(2-methylpropyl)pyrimidin-4-ol

$$$$ Data

M. F.

C9H13ClN2O

Suppliers	Catalog Number
Enamine	EN300-93560

Database	Data ID
PubChem	54595887

M. W.

200.66532

CAS

Similarity

N/A

ID: 284153

ethyl 2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]acetate

$$$$ Data

M. F.

C14H16N2O5

Suppliers	Catalog Number
Enamine	EN300-93561

Database	Data ID
PubChem	72040219

M. W.

292.28724

CAS

Similarity

N/A

ID: 284154

1-[4-(4-acetyl-2-chlorophenyl)piperazin-1-yl]ethan-1-one

$$$$ Data

M. F.

C14H17ClN2O2

Suppliers	Catalog Number
Enamine	EN300-93563

Database	Data ID
PubChem	54595888

M. W.

280.74998

CAS

Similarity

N/A

ID: 284155

N-(3-fluoro-4-hydroxyphenyl)acetamide

$$$$ Data

M. F.

C8H8FNO2

Suppliers	Catalog Number
Enamine	EN300-93567

Database	Data ID
PubChem	3014069

M. W.

169.1530232

CAS

Similarity

N/A

ID: 284156

methyl 1-(1,3-benzothiazol-2-yl)piperidine-4-carboxylate

$$$$ Data

M. F.

C14H16N2O2S

Suppliers	Catalog Number
Enamine	EN300-93568

Database	Data ID
PubChem	25626093

M. W.

276.35404

CAS

Similarity

N/A

ID: 284157

1-[(4-chlorophenyl)methyl]-1H-pyrazol-4-amine

$$$$ Data

M. F.

C10H10ClN3

Suppliers	Catalog Number
Enamine	EN300-93569

Database	Data ID
PubChem	673689

M. W.

207.6595

CAS

Similarity

N/A

ID: 284158

2-chloro-6-(2-chlorophenoxy)benzoic acid

$$$$ Data

M. F.

C13H8Cl2O3

Suppliers	Catalog Number
Enamine	EN300-93571

Database	Data ID
PubChem	12602961

M. W.

283.10682

CAS

Similarity

N/A

ID: 284159

2-chloro-7-fluoroquinoline-6-sulfonyl chloride

$$$$ Data

M. F.

C9H4Cl2FNO2S

Suppliers	Catalog Number
Enamine	EN300-93572

Database	Data ID
PubChem	43810838

M. W.

280.1029632

CAS

Similarity

N/A

ID: 284160

2-(dimethylcarbamoyl)acetic acid

$$$$ Data

M. F.

C5H9NO3

Suppliers	Catalog Number
Enamine	EN300-93573

Database	Data ID
PubChem	13627061

M. W.

131.12986

CAS

Similarity

N/A

ID: 284161

3-amino-1λ⁴-thiolan-1-one hydrochloride

$$$$ Data

M. F.

C4H10ClNOS

Suppliers	Catalog Number
Enamine	EN300-93574

Database	Data ID
PubChem	54595889

M. W.

155.6463

CAS

Similarity

N/A

ID: 284162

3-methyl-4-phenylazetidin-2-one

$$$$ Data

M. F.

C10H11NO

Suppliers	Catalog Number
Enamine	EN300-93575

Database	Data ID
PubChem	13000003

M. W.

161.20044

CAS

Similarity

N/A

ID: 284163

3-[2-(1-methyl-1H-pyrazol-4-yl)-1H-1,3-benzodiazol-1-yl]propanoic acid

$$$$ Data

M. F.

C14H14N4O2

Suppliers	Catalog Number
Enamine	EN300-93576

Database	Data ID
PubChem	43168804

M. W.

270.28656

CAS

Similarity

N/A

ID: 284164

5-(1-chloroethyl)-3-(4H-1,2,4-triazol-3-yl)-1,2,4-oxadiazole

$$$$ Data

M. F.

C6H6ClN5O

Suppliers	Catalog Number
Enamine	EN300-93578

Database	Data ID
PubChem	43150193

M. W.

199.59774

CAS

Similarity

N/A

ID: 284165

tert-butyl N-[(3-carbamothioylphenyl)methyl]carbamate

$$$$ Data

M. F.

C13H18N2O2S

Suppliers	Catalog Number
Enamine	EN300-93579

Database	Data ID
PubChem	54595891

M. W.

266.35922

CAS

Similarity

N/A

ID: 284166

1-(3-cyanophenyl)cyclopropane-1-carboxylic acid

$$$$ Data

M. F.

C11H9NO2

Suppliers	Catalog Number
Enamine	EN300-93583

Database	Data ID
PubChem	68030344

M. W.

187.19466

CAS

Similarity

N/A

ID: 284167

4-phenyl-1,3-oxazolidin-2-one

$$$$ Data

M. F.

C9H9NO2

Suppliers	Catalog Number
Enamine	EN300-93585
A&J Pharmtech	AJA-O11293 AJA-O13016

Database	Data ID
PubChem	349728

M. W.

163.17326

CAS

7480-32-2

Similarity

N/A

ID: 284168

tert-butyl 3-cyanopiperazine-1-carboxylate

$$$$ Data

M. F.

C10H17N3O2

Suppliers	Catalog Number
Enamine	EN300-93588
Bide Pharmatech	BD40418

Database	Data ID
PubChem	53487922

M. W.

211.26088

CAS

859518-35-7

Similarity

N/A

ID: 284169

3-[(phenylsulfanyl)methyl]pyrrolidine

$$$$ Data

M. F.

C11H15NS

Suppliers	Catalog Number
Enamine	EN300-93590

Database	Data ID
PubChem	23184281

M. W.

193.3085

CAS

Similarity

N/A

ID: 284170

4-methylmorpholine-2-carbonitrile

$$$$ Data

M. F.

C6H10N2O

Suppliers	Catalog Number
Enamine	EN300-93591
A&J Pharmtech	AJA-O36648

Database	Data ID
PubChem	54595892

M. W.

126.1564

CAS

1196152-74-5

Similarity

N/A

ID: 284171

1-(2-cyclopropyl-4-methyl-1,3-thiazol-5-yl)ethan-1-one

$$$$ Data

M. F.

C9H11NOS

Suppliers	Catalog Number
Enamine	EN300-93592

Database	Data ID
PubChem	54595893

M. W.

181.25474

CAS

Similarity

N/A

ID: 284172

1-(isothiocyanatomethyl)-4-(trifluoromethoxy)benzene

$$$$ Data

M. F.

C9H6F3NOS

Suppliers	Catalog Number
Enamine	EN300-93593

Database	Data ID
PubChem	14774179

M. W.

233.2102496

CAS

Similarity

N/A

ID: 284173

benzyl(2,2-difluoroethyl)amine

$$$$ Data

M. F.

C9H11F2N

Suppliers	Catalog Number
Enamine	EN300-93594

Database	Data ID
PubChem	50896648

M. W.

171.1871464

CAS

Similarity

N/A

ID: 284174

(2-nitroethenyl)cyclohexane

$$$$ Data

M. F.

C8H13NO2

Suppliers	Catalog Number
Enamine	EN300-93595

Database	Data ID
PubChem	11094860

M. W.

155.19432

CAS

Similarity

N/A

ID: 284175

cyclopentylmethyl 4-methylbenzene-1-sulfonate

$$$$ Data

M. F.

C13H18O3S

Suppliers	Catalog Number
Enamine	EN300-93596

Database	Data ID
PubChem	12568544

M. W.

254.34522

CAS

Similarity

N/A

ID: 284176

[3-chloro-6-(1-phenylethoxy)pyridin-2-yl]methanol

$$$$ Data

M. F.

C14H14ClNO2

Suppliers	Catalog Number
Enamine	EN300-93597

Database	Data ID
PubChem	54595894

M. W.

263.71946

CAS

Similarity

N/A

ID: 284177

(2-nitroethenyl)cyclopropane

$$$$ Data

M. F.

C5H7NO2

Suppliers	Catalog Number
Enamine	EN300-93598

Database	Data ID
PubChem	14978083

M. W.

113.11458

CAS

Similarity

N/A

ID: 284178

2-(3-ethyl-4H-1,2,4-triazol-4-yl)ethan-1-amine

$$$$ Data

M. F.

C6H12N4

Suppliers	Catalog Number
Enamine	EN300-93599

Database	Data ID
PubChem	53613695

M. W.

140.18628

CAS

Similarity

N/A

ID: 284179

4-{[ethyl(pentyl)amino]methyl}aniline

$$$$ Data

M. F.

C14H24N2

Suppliers	Catalog Number
Enamine	EN300-93600

Database	Data ID
PubChem	43458850

M. W.

220.35376

CAS

Similarity

N/A

ID: 284180

3,4-dimethyl-2,5-dihydro-1H-pyrrole-2,5-dione

$$$$ Data

M. F.

C6H7NO2

Suppliers	Catalog Number
Enamine	EN300-93601

Database	Data ID
PubChem	28793

M. W.

125.12528

CAS

Similarity

N/A

ID: 284181

methyl 2-[4-(chlorosulfonyl)-1H-pyrazol-1-yl]acetate

$$$$ Data

M. F.

C6H7ClN2O4S

Suppliers	Catalog Number
Enamine	EN300-93602

Database	Data ID
PubChem	54595895

M. W.

238.64878

CAS

Similarity

N/A

ID: 284182

4-carbamoyl-1H-pyrrole-2-carboxylic acid

$$$$ Data

M. F.

C6H6N2O3

Suppliers	Catalog Number
Enamine	EN300-93604

Database	Data ID
PubChem	72125033

M. W.

154.12344

CAS

Similarity

N/A

ID: 284183

5-(trichloroacetyl)-1H-pyrrole-3-carbonitrile

$$$$ Data

M. F.

C7H3Cl3N2O

Suppliers	Catalog Number
Enamine	EN300-93605

Database	Data ID
PubChem	12730476

M. W.

237.47052

CAS

Similarity

N/A

ID: 284184

4-N-methylpyridine-3,4-diamine

$$$$ Data

M. F.

C6H9N3

Suppliers	Catalog Number
Enamine	EN300-93609

Database	Data ID
PubChem	910412

M. W.

123.15576

CAS

Similarity

N/A

ID: 284185

4-N-ethylpyridine-3,4-diamine

$$$$ Data

M. F.

C7H11N3

Suppliers	Catalog Number
Enamine	EN300-93610

Database	Data ID
PubChem	12036392

M. W.

137.18234

CAS

Similarity

N/A

ID: 284186

6-bromo-3-methyl-[1,2,4]triazolo[4,3-a]pyridine

$$$$ Data

M. F.

C7H6BrN3

Suppliers	Catalog Number
Enamine	EN300-93634

Database	Data ID
PubChem	17750099

M. W.

212.04664

CAS

Similarity

N/A

ID: 284187

6-methoxy-3,4-dihydro-2H-1,4-benzoxazin-3-one

$$$$ Data

M. F.

C9H9NO3

Suppliers	Catalog Number
Enamine	EN300-93635

Database	Data ID
PubChem	13204952

M. W.

179.17266

CAS

Similarity

N/A

ID: 284188

3-cyclopropylprop-2-enoic acid

$$$$ Data

M. F.

C6H8O2

Suppliers	Catalog Number
Enamine	EN300-93636

Database	Data ID
PubChem	6440362

M. W.

112.12652

CAS

Similarity

N/A

ID: 284189

2-(piperazin-1-yl)butan-1-ol

$$$$ Data

M. F.

C8H18N2O

Suppliers	Catalog Number
Enamine	EN300-93637

Database	Data ID
PubChem	45088537

M. W.

158.24132

CAS

Similarity

N/A

ID: 284190

2-methyl-3-[(trifluoromethyl)sulfanyl]propanoic acid

$$$$ Data

M. F.

C5H7F3O2S

Suppliers	Catalog Number
Enamine	EN300-93638

Database	Data ID
PubChem	54595896

M. W.

188.1680896

CAS

Similarity

N/A

ID: 284191

3-bromo-1-(1,3-dimethyl-1H-pyrazol-5-yl)pyrrolidin-2-one

$$$$ Data

M. F.

C9H12BrN3O

Suppliers	Catalog Number
Enamine	EN300-93639

Database	Data ID
PubChem	54595897

M. W.

258.11508

CAS

Similarity

N/A

ID: 284192

3-azabicyclo[3.1.0]hexan-1-ol

$$$$ Data

M. F.

C5H9NO

Suppliers	Catalog Number
Enamine	EN300-93640

Database	Data ID
PubChem	54595898

M. W.

99.13106

CAS

Similarity

N/A

ID: 284193

3-benzyl-3-azabicyclo[3.1.0]hexan-1-ol

$$$$ Data

M. F.

C12H15NO

Suppliers	Catalog Number
Enamine	EN300-93641

Database	Data ID
PubChem	54595899

M. W.

189.2536

CAS

Similarity

N/A

ID: 284194

3-azabicyclo[4.1.0]heptan-1-ol

$$$$ Data

M. F.

C6H11NO

Suppliers	Catalog Number
Enamine	EN300-93643

Database	Data ID
PubChem	54595900

M. W.

113.15764

CAS

Similarity

N/A

ID: 284195

3-benzyl-3-azabicyclo[4.1.0]heptan-1-ol

$$$$ Data

M. F.

C13H17NO

Suppliers	Catalog Number
Enamine	EN300-93644

Database	Data ID
PubChem	54595901

M. W.

203.28018

CAS

Similarity

N/A

ID: 284196

3-azabicyclo[4.1.0]heptan-6-ol

$$$$ Data

M. F.

C6H11NO

Suppliers	Catalog Number
Enamine	EN300-93647

Database	Data ID
PubChem	54595902

M. W.

113.15764

CAS

Similarity

N/A

ID: 284197

3-benzyl-3-azabicyclo[4.1.0]heptan-6-ol

$$$$ Data

M. F.

C13H17NO

Suppliers	Catalog Number
Enamine	EN300-93648

Database	Data ID
PubChem	54595903

M. W.

203.28018

CAS

Similarity

N/A

ID: 284198

5-methyl-5-(piperidin-4-yl)imidazolidine-2,4-dione

$$$$ Data

M. F.

C9H15N3O2

Suppliers	Catalog Number
ChemBridge	45888469
Enamine	EN300-93650

Database	Data ID
PubChem	56709706

M. W.

197.2343

CAS

Similarity

N/A

ID: 284199

2-chloro-4-(chlorosulfonyl)benzoic acid

$$$$ Data

M. F.

C7H4Cl2O4S

Suppliers	Catalog Number
Enamine	EN300-93659

Database	Data ID
PubChem	188427

M. W.

255.07526

CAS

Similarity

N/A

ID: 284200

phenyl[3-(piperidin-4-yl)-1,2,4-oxadiazol-5-yl]methyl acetate

$$$$ Data

M. F.

C16H19N3O3

Suppliers	Catalog Number
Enamine	EN300-93677

Database	Data ID
PubChem	56807257

M. W.

301.34036

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