Chembase list of 866358 unique molecular structures

2,3,4,5-tetrahydro-1,4-benzoxazepin-5-one

$$$$ Data

M. F.

C9H9NO2

Suppliers	Catalog Number
Enamine	EN300-64572

Database	Data ID
PubChem	340629

M. W.

163.17326

CAS

Similarity

N/A

ID: 268002

(1R,2R)-2-methylcyclopropan-1-amine

$$$$ Data

M. F.

C4H9N

Suppliers	Catalog Number
ChemBridge	4045459
Enamine	EN300-64576

Database	Data ID
PubChem	12953691

M. W.

71.12096

CAS

Similarity

N/A

ID: 268003

N-(3-acetamidophenyl)piperidine-4-carboxamide

$$$$ Data

M. F.

C14H19N3O2

Suppliers	Catalog Number
Enamine	EN300-64577

Database	Data ID
PubChem	24695630

M. W.

261.31956

CAS

Similarity

N/A

ID: 268004

2-(2H-indazol-3-ylformamido)propanoic acid

$$$$ Data

M. F.

C11H11N3O3

Suppliers	Catalog Number
Enamine	EN300-64578

Database	Data ID
PubChem	43176007

M. W.

233.22334

CAS

Similarity

N/A

ID: 268005

3-(pyridine-3-carbonyl)-1H-indole

$$$$ Data

M. F.

C14H10N2O

Suppliers	Catalog Number
Enamine	EN300-64579

Database	Data ID
PubChem	285748

M. W.

222.242

CAS

Similarity

N/A

ID: 268006

4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]aniline

$$$$ Data

M. F.

C11H13N3O

Suppliers	Catalog Number
Enamine	EN300-64580

Database	Data ID
PubChem	28520343

M. W.

203.24042

CAS

Similarity

N/A

ID: 268007

3-methoxy-N-(propan-2-yl)aniline hydrochloride

$$$$ Data

M. F.

C10H16ClNO

Suppliers	Catalog Number
Enamine	EN300-64581

Database	Data ID
PubChem	47003191

M. W.

201.69314

CAS

Similarity

N/A

ID: 268008

ethyl 2-[(4-methoxyphenyl)methoxy]acetate

$$$$ Data

M. F.

C12H16O4

Suppliers	Catalog Number
Enamine	EN300-64582

Database	Data ID
PubChem	28940149

M. W.

224.25304

CAS

Similarity

N/A

ID: 268009

4-(thiomorpholine-4-carbonyl)cyclohexan-1-amine

$$$$ Data

M. F.

C11H20N2OS

Suppliers	Catalog Number
Enamine	EN300-64583

Database	Data ID
PubChem	47003192

M. W.

228.3543

CAS

Similarity

N/A

ID: 268010

4-(pyridin-2-ylsulfanyl)benzene-1-carboximidamide hydrochloride

$$$$ Data

M. F.

C12H12ClN3S

Suppliers	Catalog Number
Enamine	EN300-64584

Database	Data ID
PubChem	47003193

M. W.

265.76178

CAS

Similarity

N/A

ID: 268011

1-(piperazin-1-yl)-2-(pyridin-2-yl)ethan-1-one dihydrochloride

$$$$ Data

M. F.

C11H17Cl2N3O

Suppliers	Catalog Number
Enamine	EN300-64585

Database	Data ID
PubChem	47003194

M. W.

278.17818

CAS

Similarity

N/A

ID: 268012

N-(2-chloroprop-2-en-1-yl)-2,3-dihydro-1H-inden-1-amine

$$$$ Data

M. F.

C12H14ClN

Suppliers	Catalog Number
Enamine	EN300-64586

Database	Data ID
PubChem	44240826

M. W.

207.69926

CAS

Similarity

N/A

ID: 268013

methyl (1S,2S)-1-amino-2-(trifluoromethyl)cyclopropane-1-carboxylate hydrochlori...

$$$$ Data

M. F.

C6H9ClF3NO2

Suppliers	Catalog Number
Enamine	EN300-64589

Database	Data ID
PubChem	43811020

M. W.

219.5893696

CAS

Similarity

N/A

ID: 268014

(2-ethylbutyl)({[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl})amine dihydrochloride

$$$$ Data

M. F.

C13H22Cl2N4

Suppliers	Catalog Number
Enamine	EN300-64590

Database	Data ID
PubChem	47003195

M. W.

305.24658

CAS

Similarity

N/A

ID: 268015

(4-methylpentan-2-yl)({[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl})amine dihydroch...

$$$$ Data

M. F.

C13H22Cl2N4

Suppliers	Catalog Number
Enamine	EN300-64591

Database	Data ID
PubChem	47003196

M. W.

305.24658

CAS

Similarity

N/A

ID: 268016

(2-methylbutyl)({[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl})amine dihydrochloride

$$$$ Data

M. F.

C12H20Cl2N4

Suppliers	Catalog Number
Enamine	EN300-64592

Database	Data ID
PubChem	47003197

M. W.

291.22

CAS

Similarity

N/A

ID: 268017

1-hydrazinyl-2-methylpropan-2-ol

$$$$ Data

M. F.

C4H12N2O

Suppliers	Catalog Number
ChemBridge	4085384
Enamine	EN300-64593

Database	Data ID
PubChem	11094556

M. W.

104.15088

CAS

Similarity

N/A

ID: 268018

tert-butyl N-(cyanomethyl)-N-methylcarbamate

$$$$ Data

M. F.

C8H14N2O2

Suppliers	Catalog Number
Enamine	EN300-64595

Database	Data ID
PubChem	10654719

M. W.

170.20896

CAS

Similarity

N/A

ID: 268019

2-(pyrrolidine-1-sulfonyl)benzoic acid

$$$$ Data

M. F.

C11H13NO4S

Suppliers	Catalog Number
Enamine	EN300-64596

Database	Data ID
PubChem	18071919

M. W.

255.29022

CAS

Similarity

N/A

ID: 268020

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

$$$$ Data

M. F.

C7H6N4O

Suppliers	Catalog Number
Enamine	EN300-64597

Database	Data ID
PubChem	22353988

M. W.

162.14874

CAS

Similarity

N/A

ID: 268021

6-(2-chloroethoxy)-1,2,3,4-tetrahydroquinolin-2-one

$$$$ Data

M. F.

C11H12ClNO2

Suppliers	Catalog Number
Enamine	EN300-64598

Database	Data ID
PubChem	12899430

M. W.

225.67148

CAS

Similarity

N/A

ID: 268022

4-chloropyridine-3-sulfonyl chloride

$$$$ Data

M. F.

C5H3Cl2NO2S

Suppliers	Catalog Number
Enamine	EN300-64600
A&J Pharmtech	AJA-O22178

Database	Data ID
PubChem	6422223

M. W.

212.05382

CAS

33263-44-4

Similarity

N/A

ID: 268023

1-(1H-indazole-5-carbonyl)piperidine-3-carboxylic acid

$$$$ Data

M. F.

C14H15N3O3

Suppliers	Catalog Number
Enamine	EN300-64601

Database	Data ID
PubChem	43355800

M. W.

273.2872

CAS

Similarity

N/A

ID: 268024

4-bromo-N-[(4-hydroxyphenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide

$$$$ Data

M. F.

C13H13BrN2O2

Suppliers	Catalog Number
Enamine	EN300-64602

Database	Data ID
PubChem	47003198

M. W.

309.15852

CAS

Similarity

N/A

ID: 268025

2-(benzylamino)-2-[4-(trifluoromethyl)phenyl]acetic acid

$$$$ Data

M. F.

C16H14F3NO2

Suppliers	Catalog Number
Enamine	EN300-64603

Database	Data ID
PubChem	47003199

M. W.

309.2830696

CAS

Similarity

N/A

ID: 268026

2-amino-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-1-one hydrochloride

$$$$ Data

M. F.

C11H23ClN2O2

Suppliers	Catalog Number
Enamine	EN300-64604

Database	Data ID
PubChem	47003200

M. W.

250.76552

CAS

Similarity

N/A

ID: 268027

2-methyl-N-(piperidin-3-ylmethyl)propanamide

$$$$ Data

M. F.

C10H20N2O

Suppliers	Catalog Number
Enamine	EN300-64605

Database	Data ID
PubChem	20118033

M. W.

184.2786

CAS

Similarity

N/A

ID: 268028

N-(piperidin-3-ylmethyl)butanamide

$$$$ Data

M. F.

C10H20N2O

Suppliers	Catalog Number
Enamine	EN300-64606

Database	Data ID
PubChem	20116299

M. W.

184.2786

CAS

Similarity

N/A

ID: 268029

2-[2-(3,4-dimethoxyphenyl)ethyl]piperidine

$$$$ Data

M. F.

C15H23NO2

Suppliers	Catalog Number
Enamine	EN300-64607

Database	Data ID
PubChem	4778297

M. W.

249.34862

CAS

Similarity

N/A

ID: 268030

[4-(4-bromophenyl)oxan-4-yl]methanamine

$$$$ Data

M. F.

C12H16BrNO

Suppliers	Catalog Number
Enamine	EN300-64608
A&J Pharmtech	AJA-O19545

Database	Data ID
PubChem	43119068

M. W.

270.16554

CAS

Similarity

N/A

ID: 268031

3-(1,3-dioxolan-2-yl)piperidine

$$$$ Data

M. F.

C8H15NO2

Suppliers	Catalog Number
Enamine	EN300-64609

Database	Data ID
PubChem	47003201

M. W.

157.2102

CAS

Similarity

N/A

ID: 268032

(4-methoxy-3-methylphenyl)methanamine

$$$$ Data

M. F.

C9H13NO

Suppliers	Catalog Number
Enamine	EN300-64610

Database	Data ID
PubChem	23087612

M. W.

151.20562

CAS

Similarity

N/A

ID: 268033

1-(3-phenylpropyl)-1,4-diazepane

$$$$ Data

M. F.

C14H22N2

Suppliers	Catalog Number
ChemBridge	4004620
Enamine	EN300-64611

Database	Data ID
PubChem	20118808

M. W.

218.33788

CAS

118157-05-4

Similarity

N/A

ID: 268034

(3-bromo-4-methoxyphenyl)methanamine

$$$$ Data

M. F.

C8H10BrNO

Suppliers	Catalog Number
Enamine	EN300-64612

Database	Data ID
PubChem	22026276

M. W.

216.0751

CAS

Similarity

N/A

ID: 268035

(2-aminoethyl)(ethyl)(propan-2-yl)amine

$$$$ Data

M. F.

C7H18N2

Suppliers	Catalog Number
Enamine	EN300-64613

Database	Data ID
PubChem	20760049

M. W.

130.23122

CAS

Similarity

N/A

ID: 268036

(2-aminoethyl)(methyl)(propan-2-yl)amine

$$$$ Data

M. F.

C6H16N2

Suppliers	Catalog Number
ChemBridge	4025252
Enamine	EN300-64614

Database	Data ID
PubChem	16784595

M. W.

116.20464

CAS

Similarity

N/A

ID: 268037

2-[2-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]acetic acid

$$$$ Data

M. F.

C12H9NO4S

Suppliers	Catalog Number
Enamine	EN300-64618

Database	Data ID
PubChem	43327447

M. W.

263.26916

CAS

Similarity

N/A

ID: 268038

2-{[1-(2,2,2-trifluoroethyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}acetic acid

$$$$ Data

M. F.

C5H5F3N4O2S

Suppliers	Catalog Number
Enamine	EN300-64619

Database	Data ID
PubChem	29070456

M. W.

242.1790096

CAS

Similarity

N/A

ID: 268039

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

$$$$ Data

M. F.

C4H6N2O2

Suppliers	Catalog Number
ChemBridge	4012867
Enamine	EN300-64621

Database	Data ID
PubChem	20201477

M. W.

114.10264

CAS

915924-37-7

Similarity

N/A

ID: 268040

3-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]propanoic acid

$$$$ Data

M. F.

C13H10N2O4

Suppliers	Catalog Number
Enamine	EN300-64623

Database	Data ID
PubChem	47003202

M. W.

258.2295

CAS

Similarity

N/A

ID: 268041

N-{[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl}cyclohexanamine

$$$$ Data

M. F.

C13H18N4

Suppliers	Catalog Number
Enamine	EN300-64624

Database	Data ID
PubChem	28711594

M. W.

230.30882

CAS

Similarity

N/A

ID: 268042

N-(4-{[(pyridin-3-yl)amino]methyl}phenyl)acetamide

$$$$ Data

M. F.

C14H15N3O

Suppliers	Catalog Number
Enamine	EN300-64625

Database	Data ID
PubChem	28430015

M. W.

241.2884

CAS

Similarity

N/A

ID: 268043

2-{1-[(4-hydroxycyclohexyl)amino]propyl}phenol

$$$$ Data

M. F.

C15H23NO2

Suppliers	Catalog Number
Enamine	EN300-64626

Database	Data ID
PubChem	43193954

M. W.

249.34862

CAS

Similarity

N/A

ID: 268044

2-[(1-benzylpiperidin-3-yl)amino]propan-1-ol

$$$$ Data

M. F.

C15H24N2O

Suppliers	Catalog Number
Enamine	EN300-64627

Database	Data ID
PubChem	43499452

M. W.

248.36386

CAS

Similarity

N/A

ID: 268045

(pentan-3-yl)(1-{[1,2,4]triazolo[4,3-a]pyridin-3-yl}ethyl)amine hydrochloride

$$$$ Data

M. F.

C13H21ClN4

Suppliers	Catalog Number
Enamine	EN300-64628

Database	Data ID
PubChem	50988198

M. W.

268.78564

CAS

Similarity

N/A

ID: 268046

(hexan-2-yl)({[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl})amine hydrochloride

$$$$ Data

M. F.

C13H21ClN4

Suppliers	Catalog Number
Enamine	EN300-64629

Database	Data ID
PubChem	47003203

M. W.

268.78564

CAS

Similarity

N/A

ID: 268047

(2-methylpropyl)(1-{[1,2,4]triazolo[4,3-a]pyridin-3-yl}ethyl)amine hydrochloride

$$$$ Data

M. F.

C12H19ClN4

Suppliers	Catalog Number
Enamine	EN300-64632

Database	Data ID
PubChem	50988083

M. W.

254.75906

CAS

Similarity

N/A

ID: 268048

1-(2-phenylethyl)-N-(propan-2-yl)piperidin-4-amine

$$$$ Data

M. F.

C16H26N2

Suppliers	Catalog Number
Enamine	EN300-64633

Database	Data ID
PubChem	23345092

M. W.

246.39104

CAS

Similarity

N/A

ID: 268049

ethyl(methyl)amine hydrochloride

$$$$ Data

M. F.

C3H10ClN

Suppliers	Catalog Number
Enamine	EN300-64637

Database	Data ID
PubChem	522048

M. W.

95.5712

CAS

Similarity

N/A

ID: 268050

(1S)-1-(5-chloro-2,4-dimethoxyphenyl)ethan-1-ol

$$$$ Data

M. F.

C10H13ClO3

Suppliers	Catalog Number
Enamine	EN300-64639

Database	Data ID
PubChem	25324350

M. W.

216.66142

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