Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C18H15N

Suppliers	Catalog Number
Enamine	EN300-71996

Database	Data ID
PubChem	12595489

M. W.

245.3184

CAS

Similarity

N/A

ID: 271852

3-(4-chlorobenzoyl)pyridine

$$$$ Data

M. F.

C12H8ClNO

Suppliers	Catalog Number
ChemBridge	4000126
Enamine	EN300-71997

Database	Data ID
PubChem	84518

M. W.

217.65102

CAS

14548-44-8

Similarity

N/A

ID: 271853

1-(4-aminopiperidin-1-yl)-2-methylpropan-2-ol

$$$$ Data

M. F.

C9H20N2O

Suppliers	Catalog Number
Enamine	EN300-72000

Database	Data ID
PubChem	50986512

M. W.

172.2679

CAS

Similarity

N/A

ID: 271854

2-(2-ethylphenoxy)-2-phenylacetic acid

$$$$ Data

M. F.

C16H16O3

Suppliers	Catalog Number
Enamine	EN300-72001

Database	Data ID
PubChem	22684849

M. W.

256.29644

CAS

Similarity

N/A

ID: 271855

1-[2-(prop-2-yn-1-yloxy)phenyl]ethan-1-ol

$$$$ Data

M. F.

C11H12O2

Suppliers	Catalog Number
Enamine	EN300-72002

Database	Data ID
PubChem	43504050

M. W.

176.21178

CAS

Similarity

N/A

ID: 271856

2-methanesulfonylethane-1-thiol

$$$$ Data

M. F.

C3H8O2S2

Suppliers	Catalog Number
Enamine	EN300-72003

Database	Data ID
PubChem	18552224

M. W.

140.22442

CAS

Similarity

N/A

ID: 271857

5-bromo-N,2-dimethylbenzene-1-sulfonamide

$$$$ Data

M. F.

C8H10BrNO2S

Suppliers	Catalog Number
Enamine	EN300-72004

Database	Data ID
PubChem	8777805

M. W.

264.1395

CAS

Similarity

N/A

ID: 271858

1-(2-chloro-4-nitrophenoxy)-3,3-dimethylbutan-2-one

$$$$ Data

M. F.

C12H14ClNO4

Suppliers	Catalog Number
Enamine	EN300-72005

Database	Data ID
PubChem	50986329

M. W.

271.69686

CAS

Similarity

N/A

ID: 271859

[5-fluoro-2-(2-methyl-1H-imidazol-1-yl)phenyl]methanamine

$$$$ Data

M. F.

C11H12FN3

Suppliers	Catalog Number
Enamine	EN300-72006

Database	Data ID
PubChem	43314042

M. W.

205.2314832

CAS

Similarity

N/A

ID: 271860

5-fluoro-2-nitro-N-propylaniline

$$$$ Data

M. F.

C9H11FN2O2

Suppliers	Catalog Number
Enamine	EN300-72007

Database	Data ID
PubChem	50987928

M. W.

198.1942432

CAS

Similarity

N/A

ID: 271861

3-(2-chlorophenyl)propan-1-amine hydrochloride

$$$$ Data

M. F.

C9H13Cl2N

Suppliers	Catalog Number
ChemBridge	4087888
Enamine	EN300-72008

Database	Data ID
PubChem	50988727

M. W.

206.11222

CAS

Similarity

N/A

ID: 271862

3-(propan-2-yloxy)phenol

$$$$ Data

M. F.

C9H12O2

Suppliers	Catalog Number
Enamine	EN300-72009

Database	Data ID
PubChem	235373

M. W.

152.19038

CAS

Similarity

N/A

ID: 271863

3-(2-hydroxyethyl)-2,3-dihydro-1,3-benzoxazol-2-one

$$$$ Data

M. F.

C9H9NO3

Suppliers	Catalog Number
Enamine	EN300-72010

Database	Data ID
PubChem	33587

M. W.

179.17266

CAS

Similarity

N/A

ID: 271864

3-(5-amino-4-cyano-1H-pyrazol-1-yl)benzoic acid

$$$$ Data

M. F.

C11H8N4O2

Suppliers	Catalog Number
Enamine	EN300-72012

Database	Data ID
PubChem	16772929

M. W.

228.20682

CAS

Similarity

N/A

ID: 271865

3-[methyl(phenyl)amino]propanoic acid hydrochloride

$$$$ Data

M. F.

C10H14ClNO2

Suppliers	Catalog Number
Enamine	EN300-72013

Database	Data ID
PubChem	22406386

M. W.

215.67666

CAS

Similarity

N/A

ID: 271866

2-amino-2-phenylbutan-1-ol hydrochloride

$$$$ Data

M. F.

C10H16ClNO

Suppliers	Catalog Number
Enamine	EN300-72014

Database	Data ID
PubChem	50988202

M. W.

201.69314

CAS

Similarity

N/A

ID: 271867

2-methylcyclopropane-1-carbohydrazide

$$$$ Data

M. F.

C5H10N2O

Suppliers	Catalog Number
Enamine	EN300-72015

Database	Data ID
PubChem	44929

M. W.

114.1457

CAS

Similarity

N/A

ID: 271868

4-(prop-2-yn-1-yloxy)aniline

$$$$ Data

M. F.

C9H9NO

Suppliers	Catalog Number
ChemBridge	4039862
Enamine	EN300-72016

Database	Data ID
PubChem	12668862

M. W.

147.17386

CAS

26557-78-8

Similarity

N/A

ID: 271869

3-{[(4-fluorophenyl)methyl]amino}benzamide

$$$$ Data

M. F.

C14H13FN2O

Suppliers	Catalog Number
Enamine	EN300-72017

Database	Data ID
PubChem	28650463

M. W.

244.2642232

CAS

Similarity

N/A

ID: 271870

3-(4-hydroxypiperidin-1-yl)propanenitrile

$$$$ Data

M. F.

C8H14N2O

Suppliers	Catalog Number
Enamine	EN300-72019

Database	Data ID
PubChem	12725749

M. W.

154.20956

CAS

Similarity

N/A

ID: 271871

butyl (2S)-2-{[(tert-butoxy)carbonyl]amino}-4-carbamoylbutanoate

$$$$ Data

M. F.

C14H26N2O5

Suppliers	Catalog Number
Enamine	EN300-72020

Database	Data ID
PubChem	50987920

M. W.

302.36664

CAS

Similarity

N/A

ID: 271872

tert-butyl (2S)-2-amino-6-{[(benzyloxy)carbonyl]amino}hexanoate hydrochloride

$$$$ Data

M. F.

C18H29ClN2O4

Suppliers	Catalog Number
Enamine	EN300-72021

Database	Data ID
PubChem	13536460

M. W.

372.88686

CAS

Similarity

N/A

ID: 271873

2-{5-oxo-4H,5H,6H,7H,8H-thieno[3,2-b]azepin-4-yl}acetic acid

$$$$ Data

M. F.

C10H11NO3S

Suppliers	Catalog Number
Enamine	EN300-72023

Database	Data ID
PubChem	50990564

M. W.

225.26424

CAS

Similarity

N/A

ID: 271874

benzyl (2R)-2-{[(tert-butoxy)carbonyl]amino}-3-carbamoylpropanoate

$$$$ Data

M. F.

C16H22N2O5

Suppliers	Catalog Number
Enamine	EN300-72027

Database	Data ID
PubChem	14420403

M. W.

322.35628

CAS

Similarity

N/A

ID: 271875

5-bromopyridine-2-sulfonamide

$$$$ Data

M. F.

C5H5BrN2O2S

Suppliers	Catalog Number
Enamine	EN300-72029

Database	Data ID
PubChem	50989786

M. W.

237.0744

CAS

Similarity

N/A

ID: 271876

methyl 2-(3-chloropropanamido)acetate

$$$$ Data

M. F.

C6H10ClNO3

Suppliers	Catalog Number
Enamine	EN300-72030

Database	Data ID
PubChem	16787366

M. W.

179.6015

CAS

Similarity

N/A

ID: 271877

3-acetyl-4-hydroxybenzoic acid

$$$$ Data

M. F.

C9H8O4

Suppliers	Catalog Number
Enamine	EN300-72031

Database	Data ID
PubChem	9179245

M. W.

180.15742

CAS

Similarity

N/A

ID: 271878

2-(1-benzofuran-2-carbonyl)pyridine

$$$$ Data

M. F.

C14H9NO2

Suppliers	Catalog Number
Enamine	EN300-72032

Database	Data ID
PubChem	29075990

M. W.

223.22676

CAS

Similarity

N/A

ID: 271879

[2-(2-fluorophenoxy)phenyl]methanamine

$$$$ Data

M. F.

C13H12FNO

Suppliers	Catalog Number
Enamine	EN300-72033

Database	Data ID
PubChem	40426918

M. W.

217.2388832

CAS

Similarity

N/A

ID: 271880

[6-(dimethylamino)pyridin-2-yl]methanol

$$$$ Data

M. F.

C8H12N2O

Suppliers	Catalog Number
Enamine	EN300-72034

Database	Data ID
PubChem	50988946

M. W.

152.19368

CAS

Similarity

N/A

ID: 271881

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

$$$$ Data

M. F.

C5H8N2O2

Suppliers	Catalog Number
ChemBridge	4042921
Enamine	EN300-72036

Database	Data ID
PubChem	22093119

M. W.

128.12922

CAS

52366-04-8

Similarity

N/A

ID: 271882

3-methyl-1,2,4-oxadiazol-5-ol

$$$$ Data

M. F.

C3H4N2O2

Suppliers	Catalog Number
ChemBridge	4043027
Enamine	EN300-72037
A&J Pharmtech	AJA-O21887

Database	Data ID
PubChem	9833976

M. W.

100.07606

CAS

52386-40-0

Similarity

N/A

ID: 271883

5-(2-aminoethyl)-4-cyclopropyl-4H-1,2,4-triazole-3-thiol hydrochloride

$$$$ Data

M. F.

C7H13ClN4S

Suppliers	Catalog Number
Enamine	EN300-72038

Database	Data ID
PubChem	50988724

M. W.

220.72292

CAS

Similarity

N/A

ID: 271884

3-tert-butyl-1,2,4-oxadiazol-5-ol

$$$$ Data

M. F.

C6H10N2O2

Suppliers	Catalog Number
Enamine	EN300-72039

Database	Data ID
PubChem	23522839

M. W.

142.1558

CAS

Similarity

N/A

ID: 271885

[(4-chlorophenyl)methyl][2-(pyrrolidin-1-yl)ethyl]amine dihydrochloride

$$$$ Data

M. F.

C13H21Cl3N2

Suppliers	Catalog Number
Enamine	EN300-72041

Database	Data ID
PubChem	13594973

M. W.

311.67824

CAS

Similarity

N/A

ID: 271886

3-[2-(piperidin-1-yl)ethoxy]aniline

$$$$ Data

M. F.

C13H20N2O

Suppliers	Catalog Number
Enamine	EN300-72042

Database	Data ID
PubChem	21941707

M. W.

220.3107

CAS

Similarity

N/A

ID: 271887

2-(4-hydroxypiperidin-1-yl)-N,N-dimethylacetamide

$$$$ Data

M. F.

C9H18N2O2

Suppliers	Catalog Number
Enamine	EN300-72044

Database	Data ID
PubChem	43218636

M. W.

186.25142

CAS

Similarity

N/A

ID: 271888

3-(2,3,5-trimethylphenoxy)propanoic acid

$$$$ Data

M. F.

C12H16O3

Suppliers	Catalog Number
Enamine	EN300-72047

Database	Data ID
PubChem	12371397

M. W.

208.25364

CAS

Similarity

N/A

ID: 271889

methyl 3-amino-2-[(1-methyl-1H-pyrazol-4-yl)methyl]propanoate dihydrochloride

$$$$ Data

M. F.

C9H17Cl2N3O2

Suppliers	Catalog Number
Enamine	EN300-72050

Database	Data ID
PubChem	50988379

M. W.

270.15618

CAS

Similarity

N/A

ID: 271890

4-(2-chlorophenyl)oxane-4-carboxylic acid

$$$$ Data

M. F.

C12H13ClO3

Suppliers	Catalog Number
Enamine	EN300-72054

Database	Data ID
PubChem	50990485

M. W.

240.68282

CAS

Similarity

N/A

ID: 271891

2-[(1H-1,3-benzodiazol-2-yl)amino]propan-1-ol

$$$$ Data

M. F.

C10H13N3O

Suppliers	Catalog Number
Enamine	EN300-72055

Database	Data ID
PubChem	50987510

M. W.

191.22972

CAS

Similarity

N/A

ID: 271892

1-{6-bromo-1H-imidazo[4,5-b]pyridin-2-yl}ethan-1-ol

$$$$ Data

M. F.

C8H8BrN3O

Suppliers	Catalog Number
Enamine	EN300-72056

Database	Data ID
PubChem	342999

M. W.

242.07262

CAS

Similarity

N/A

ID: 271893

3-difluoromethanesulfonylthiophene-2-carboxylic acid

$$$$ Data

M. F.

C6H4F2O4S2

Suppliers	Catalog Number
Enamine	EN300-72057

Database	Data ID
PubChem	50990489

M. W.

242.2203664

CAS

Similarity

N/A

ID: 271894

methyl 2-amino-5-(propan-2-yloxy)benzoate hydrochloride

$$$$ Data

M. F.

C11H16ClNO3

Suppliers	Catalog Number
Enamine	EN300-72059

Database	Data ID
PubChem	50988565

M. W.

245.70264

CAS

Similarity

N/A

ID: 271895

2-(prop-2-yn-1-yloxy)phenol

$$$$ Data

M. F.

C9H8O2

Suppliers	Catalog Number
Enamine	EN300-72060

Database	Data ID
PubChem	287921

M. W.

148.15862

CAS

Similarity

N/A

ID: 271896

4-(4-fluoro-1H-1,3-benzodiazol-2-yl)aniline

$$$$ Data

M. F.

C13H10FN3

Suppliers	Catalog Number
Enamine	EN300-72062

Database	Data ID
PubChem	50989670

M. W.

227.2370032

CAS

Similarity

N/A

ID: 271897

3-(phenylsulfanyl)-1,2,4-thiadiazol-5-amine

$$$$ Data

M. F.

C8H7N3S2

Suppliers	Catalog Number
Enamine	EN300-72063

Database	Data ID
PubChem	23468448

M. W.

209.29128

CAS

Similarity

N/A

ID: 271898

1-[(1-methylpiperidin-2-yl)methyl]piperazine

$$$$ Data

M. F.

C11H23N3

Suppliers	Catalog Number
Enamine	EN300-72065

Database	Data ID
PubChem	4914648

M. W.

197.32042

CAS

Similarity

N/A

ID: 271899

[(4-chlorophenyl)(pyridin-3-yl)methyl](ethyl)amine

$$$$ Data

M. F.

C14H15ClN2

Suppliers	Catalog Number
Enamine	EN300-72066

Database	Data ID
PubChem	43488958

M. W.

246.7353

CAS

Similarity

N/A

ID: 271900

[(4-chlorophenyl)(pyridin-3-yl)methyl](methyl)amine

$$$$ Data

M. F.

C13H13ClN2

Suppliers	Catalog Number
Enamine	EN300-72067

Database	Data ID
PubChem	43481394

M. W.

232.70872

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