Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C7H14ClNO

Suppliers	Catalog Number
Enamine	EN300-64154

Database	Data ID
PubChem	47003108

M. W.

163.64516

CAS

Similarity

N/A

ID: 267752

2-[chloro(phenyl)methyl]-5-methyl-1,3,4-oxadiazole

$$$$ Data

M. F.

C10H9ClN2O

Suppliers	Catalog Number
Enamine	EN300-64156

Database	Data ID
PubChem	43132527

M. W.

208.64426

CAS

Similarity

N/A

ID: 267753

1-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxylic acid

$$$$ Data

M. F.

C11H10N2O2

Suppliers	Catalog Number
Enamine	EN300-64159

Database	Data ID
PubChem	43477094

M. W.

202.2093

CAS

Similarity

N/A

ID: 267754

5-chloro-6-[(1-methyl-1H-imidazol-2-yl)sulfanyl]pyridine-3-carboxylic acid

$$$$ Data

M. F.

C10H8ClN3O2S

Suppliers	Catalog Number
Enamine	EN300-64161

Database	Data ID
PubChem	28401341

M. W.

269.70742

CAS

Similarity

N/A

ID: 267755

5-bromo-1-[2-(dimethylamino)ethyl]-2,3-dihydro-1H-indole-2,3-dione

$$$$ Data

M. F.

C12H13BrN2O2

Suppliers	Catalog Number
Enamine	EN300-64162

Database	Data ID
PubChem	28492566

M. W.

297.14782

CAS

Similarity

N/A

ID: 267756

5-bromo-1-[2-(dimethylamino)ethyl]-2,3-dihydro-1H-indole-2,3-dione hydrochloride

$$$$ Data

M. F.

C12H14BrClN2O2

Suppliers	Catalog Number
Enamine	EN300-64164

Database	Data ID
PubChem	47003109

M. W.

333.60876

CAS

Similarity

N/A

ID: 267757

4-hydroxy-3-methylbenzonitrile

$$$$ Data

M. F.

C8H7NO

Suppliers	Catalog Number
Enamine	EN300-64165

Database	Data ID
PubChem	10964560

M. W.

133.14728

CAS

Similarity

N/A

ID: 267758

4-benzylpiperidine-1-sulfonamide

$$$$ Data

M. F.

C12H18N2O2S

Suppliers	Catalog Number
Enamine	EN300-64168

Database	Data ID
PubChem	43244769

M. W.

254.34852

CAS

Similarity

N/A

ID: 267759

azepane-1-sulfonamide

$$$$ Data

M. F.

C6H14N2O2S

Suppliers	Catalog Number
Enamine	EN300-64169

Database	Data ID
PubChem	192792

M. W.

178.25256

CAS

Similarity

N/A

ID: 267760

(dibutylsulfamoyl)amine

$$$$ Data

M. F.

C8H20N2O2S

Suppliers	Catalog Number
Enamine	EN300-64171

Database	Data ID
PubChem	15569632

M. W.

208.3216

CAS

Similarity

N/A

ID: 267761

2-(2,6-dichlorophenyl)propan-2-amine hydrochloride

$$$$ Data

M. F.

C9H12Cl3N

Suppliers	Catalog Number
Enamine	EN300-64172

Database	Data ID
PubChem	47003110

M. W.

240.55728

CAS

Similarity

N/A

ID: 267762

4-bromo-2,6-dimethylpyrimidine

$$$$ Data

M. F.

C6H7BrN2

Suppliers	Catalog Number
Enamine	EN300-64173

Database	Data ID
PubChem	10965245

M. W.

187.03718

CAS

Similarity

N/A

ID: 267763

3-phenyl-1H-pyrazole-4-carboxamide

$$$$ Data

M. F.

C10H9N3O

Suppliers	Catalog Number
Enamine	EN300-64174

Database	Data ID
PubChem	43132182

M. W.

187.19796

CAS

Similarity

N/A

ID: 267764

N-(piperidin-2-ylmethyl)benzamide

$$$$ Data

M. F.

C13H18N2O

Suppliers	Catalog Number
Enamine	EN300-64175

Database	Data ID
PubChem	14593015

M. W.

218.29482

CAS

Similarity

N/A

ID: 267765

azocane-1-sulfonamide

$$$$ Data

M. F.

C7H16N2O2S

Suppliers	Catalog Number
Enamine	EN300-64177

Database	Data ID
PubChem	43132039

M. W.

192.27914

CAS

Similarity

N/A

ID: 267766

methyl 1,1-dioxo-3,4-dihydro-2H-1λ⁶,2,4-benzothiadiazine-3-carboxyla...

$$$$ Data

M. F.

C9H10N2O4S

Suppliers	Catalog Number
Enamine	EN300-64179

Database	Data ID
PubChem	47003111

M. W.

242.2517

CAS

Similarity

N/A

ID: 267767

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

$$$$ Data

M. F.

C6H4N4O2

Suppliers	Catalog Number
Enamine	EN300-64180

Database	Data ID
PubChem	457403

M. W.

164.12156

CAS

Similarity

N/A

ID: 267768

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

$$$$ Data

M. F.

C10H5F2NO2S

Suppliers	Catalog Number
Enamine	EN300-64181

Database	Data ID
PubChem	43658689

M. W.

241.2140064

CAS

Similarity

N/A

ID: 267769

tert-butyl N-methyl-N-(piperidin-3-yl)carbamate

$$$$ Data

M. F.

C11H22N2O2

Suppliers	Catalog Number
Enamine	EN300-64182

Database	Data ID
PubChem	22449166

M. W.

214.30458

CAS

Similarity

N/A

ID: 267770

3-(4-aminophenyl)-4,5-dihydro-1,2,4-oxadiazol-5-one

$$$$ Data

M. F.

C8H7N3O2

Suppliers	Catalog Number
Enamine	EN300-64183

Database	Data ID
PubChem	11593525

M. W.

177.16008

CAS

Similarity

N/A

ID: 267771

1-(pyridin-4-yl)butane-1,3-dione

$$$$ Data

M. F.

C9H9NO2

Suppliers	Catalog Number
Enamine	EN300-64184

Database	Data ID
PubChem	12418330

M. W.

163.17326

CAS

Similarity

N/A

ID: 267772

phenyl 1,4-diazepane-1-carboxylate hydrochloride

$$$$ Data

M. F.

C12H17ClN2O2

Suppliers	Catalog Number
Enamine	EN300-64185

Database	Data ID
PubChem	47003112

M. W.

256.72858

CAS

Similarity

N/A

ID: 267773

4-{[ethyl(propyl)amino]methyl}benzoic acid hydrochloride

$$$$ Data

M. F.

C13H20ClNO2

Suppliers	Catalog Number
Enamine	EN300-64186

Database	Data ID
PubChem	47003113

M. W.

257.7564

CAS

Similarity

N/A

ID: 267774

5-(1-benzofuran-2-yl)-2H-1,2,3,4-tetrazole

$$$$ Data

M. F.

C9H6N4O

Suppliers	Catalog Number
Enamine	EN300-64188

Database	Data ID
PubChem	47003114

M. W.

186.17014

CAS

Similarity

N/A

ID: 267775

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

$$$$ Data

M. F.

C10H7NO3S

Suppliers	Catalog Number
Enamine	EN300-64189

Database	Data ID
PubChem	15623082

M. W.

221.23248

CAS

Similarity

N/A

ID: 267776

N-(2-phenylphenyl)-4,5-dihydro-1,3-thiazol-2-amine

$$$$ Data

M. F.

C15H14N2S

Suppliers	Catalog Number
Enamine	EN300-64190

Database	Data ID
PubChem	2731514

M. W.

254.35006

CAS

Similarity

N/A

ID: 267777

1-cyclopropyl-5-methanesulfonyl-1H-1,2,3,4-tetrazole

$$$$ Data

M. F.

C5H8N4O2S

Suppliers	Catalog Number
Enamine	EN300-64191

Database	Data ID
PubChem	43163673

M. W.

188.20762

CAS

Similarity

N/A

ID: 267778

N-methyl-1,2,3,4-tetrahydroisoquinoline-2-sulfonamide

$$$$ Data

M. F.

C10H14N2O2S

Suppliers	Catalog Number
Enamine	EN300-64192

Database	Data ID
PubChem	43244950

M. W.

226.29536

CAS

Similarity

N/A

ID: 267779

potassium 2-(5-methyl-1,3,4-oxadiazol-2-yl)acetate

$$$$ Data

M. F.

C5H5KN2O3

Suppliers	Catalog Number
Enamine	EN300-64193

Database	Data ID
PubChem	47003115

M. W.

180.2031

CAS

Similarity

N/A

ID: 267780

4-methyl-N-(piperidin-3-ylmethyl)benzene-1-sulfonamide hydrochloride

$$$$ Data

M. F.

C13H21ClN2O2S

Suppliers	Catalog Number
Enamine	EN300-64194

Database	Data ID
PubChem	47003116

M. W.

304.83604

CAS

Similarity

N/A

ID: 267781

N-(piperidin-3-yl)butanamide

$$$$ Data

M. F.

C9H18N2O

Suppliers	Catalog Number
Enamine	EN300-64196

Database	Data ID
PubChem	20121225

M. W.

170.25202

CAS

Similarity

N/A

ID: 267782

(2-cyclohexylethyl)(methyl)amine

$$$$ Data

M. F.

C9H19N

Suppliers	Catalog Number
Enamine	EN300-64197

Database	Data ID
PubChem	43930

M. W.

141.25386

CAS

Similarity

N/A

ID: 267783

4-methyl-3-oxohexanenitrile

$$$$ Data

M. F.

C7H11NO

Suppliers	Catalog Number
Enamine	EN300-64198

Database	Data ID
PubChem	18978024

M. W.

125.16834

CAS

Similarity

N/A

ID: 267784

5-methyl-3-oxohexanenitrile

$$$$ Data

M. F.

C7H11NO

Suppliers	Catalog Number
Enamine	EN300-64199

Database	Data ID
PubChem	3032223

M. W.

125.16834

CAS

Similarity

N/A

ID: 267785

6-[(difluoromethyl)sulfanyl]-1,2,3,4-tetrahydronaphthalen-1-one

$$$$ Data

M. F.

C11H10F2OS

Suppliers	Catalog Number
Enamine	EN300-64200

Database	Data ID
PubChem	47003117

M. W.

228.2583064

CAS

Similarity

N/A

ID: 267786

2-(5-methylfuran-2-yl)-2-(pyrrolidin-1-yl)ethan-1-amine

$$$$ Data

M. F.

C11H18N2O

Suppliers	Catalog Number
Enamine	EN300-64201

Database	Data ID
PubChem	16793089

M. W.

194.27342

CAS

Similarity

N/A

ID: 267787

8-amino-1,4-dioxaspiro[4.5]decane-8-carbonitrile

$$$$ Data

M. F.

C9H14N2O2

Suppliers	Catalog Number
Enamine	EN300-64202

Database	Data ID
PubChem	16789452

M. W.

182.21966

CAS

Similarity

N/A

ID: 267788

2-amino-2-propylpentanenitrile

$$$$ Data

M. F.

C8H16N2

Suppliers	Catalog Number
Enamine	EN300-64203

Database	Data ID
PubChem	20116523

M. W.

140.22604

CAS

Similarity

N/A

ID: 267789

[(4-methoxy-3,5-dimethylphenyl)methyl](methyl)amine

$$$$ Data

M. F.

C11H17NO

Suppliers	Catalog Number
Enamine	EN300-64204

Database	Data ID
PubChem	43276666

M. W.

179.25878

CAS

Similarity

N/A

ID: 267790

3-[(2-aminophenyl)amino]propan-1-ol

$$$$ Data

M. F.

C9H14N2O

Suppliers	Catalog Number
Enamine	EN300-64205

Database	Data ID
PubChem	12401222

M. W.

166.22026

CAS

Similarity

N/A

ID: 267791

1-(pyridin-4-ylmethyl)-1H-pyrrole-2-carboxylic acid

$$$$ Data

M. F.

C11H10N2O2

Suppliers	Catalog Number
Enamine	EN300-64206

Database	Data ID
PubChem	43477095

M. W.

202.2093

CAS

Similarity

N/A

ID: 267792

N,1-dimethylpiperidin-3-amine

$$$$ Data

M. F.

C7H16N2

Suppliers	Catalog Number
Enamine	EN300-64207

Database	Data ID
PubChem	547176

M. W.

128.21534

CAS

Similarity

N/A

ID: 267793

2-trifluoromethanesulfonylphenol

$$$$ Data

M. F.

C7H5F3O3S

Suppliers	Catalog Number
Enamine	EN300-64211

Database	Data ID
PubChem	15731663

M. W.

226.1730096

CAS

Similarity

N/A

ID: 267794

{3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]propyl}(methyl)amine

$$$$ Data

M. F.

C13H15FN2O

Suppliers	Catalog Number
Enamine	EN300-64213

Database	Data ID
PubChem	47003118

M. W.

234.2694032

CAS

Similarity

N/A

ID: 267795

2-methyl-4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]aniline

$$$$ Data

M. F.

C11H13N3S

Suppliers	Catalog Number
Enamine	EN300-64228

Database	Data ID
PubChem	43436429

M. W.

219.30602

CAS

Similarity

N/A

ID: 267796

2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline

$$$$ Data

M. F.

C10H11N3S2

Suppliers	Catalog Number
Enamine	EN300-64229

Database	Data ID
PubChem	47003119

M. W.

237.34444

CAS

Similarity

N/A

ID: 267797

3-(2,3-dimethylphenyl)-1H-pyrazol-5-amine

$$$$ Data

M. F.

C11H13N3

Suppliers	Catalog Number
Enamine	EN300-64231

Database	Data ID
PubChem	24701943

M. W.

187.24102

CAS

Similarity

N/A

ID: 267798

1-[2-(4-methoxyphenyl)ethyl]imidazolidine-2,4,5-trione

$$$$ Data

M. F.

C12H12N2O4

Suppliers	Catalog Number
Enamine	EN300-64232

Database	Data ID
PubChem	43153841

M. W.

248.23468

CAS

Similarity

N/A

ID: 267799

1-(4-chlorophenyl)-N-methylpiperidin-4-amine

$$$$ Data

M. F.

C12H17ClN2

Suppliers	Catalog Number
Enamine	EN300-64234

Database	Data ID
PubChem	19092281

M. W.

224.72978

CAS

Similarity

N/A

ID: 267800

2,2,2-trifluoroethyl N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)carbamate

$$$$ Data

M. F.

C12H12F3NO4

Suppliers	Catalog Number
Enamine	EN300-64235

Database	Data ID
PubChem	39871377

M. W.

291.2231896

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