Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C6H7ClN2O

Suppliers	Catalog Number
Enamine	EN300-125007

Database	Data ID
PubChem	21314897

M. W.

158.58558

CAS

Similarity

N/A

ID: 246402

2-(4-chlorophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid

$$$$ Data

M. F.

C11H8ClNO3

Suppliers	Catalog Number
Enamine	EN300-12501

Database	Data ID
PubChem	4961939

M. W.

237.63912

CAS

2940-23-0

Similarity

N/A

ID: 246403

1,5-dimethyl-4,5-dihydro-1H-pyrazol-3-amine hydrochloride

$$$$ Data

M. F.

C5H12ClN3

Suppliers	Catalog Number
Enamine	EN300-125010

Database	Data ID
PubChem	71757977

M. W.

149.62188

CAS

Similarity

N/A

ID: 246404

4-oxa-1,10-diazatricyclo[7.3.1.0⁵,¹³]trideca-5,...

$$$$ Data

M. F.

C10H13ClN2O

Suppliers	Catalog Number
Enamine	EN300-125011

Database	Data ID
PubChem	71757978

M. W.

212.67602

CAS

Similarity

N/A

ID: 246405

[3-(1H-imidazol-2-yl)phenyl]methanamine dihydrochloride

$$$$ Data

M. F.

C10H13Cl2N3

Suppliers	Catalog Number
Enamine	EN300-125012

Database	Data ID
PubChem	71757979

M. W.

246.13632

CAS

Similarity

N/A

ID: 246406

2-amino-1-cyclopropylethan-1-one hydrochloride

$$$$ Data

M. F.

C5H10ClNO

Suppliers	Catalog Number
Enamine	EN300-125013

Database	Data ID
PubChem	55290888

M. W.

135.592

CAS

Similarity

N/A

ID: 246407

N-(2-aminoethyl)-1,2-oxazole-5-carboxamide hydrochloride

$$$$ Data

M. F.

C6H10ClN3O2

Suppliers	Catalog Number
Enamine	EN300-125014

Database	Data ID
PubChem	71757981

M. W.

191.6155

CAS

Similarity

N/A

ID: 246408

2-amino-4-hydroxy-4-phenylbutanoic acid hydrochloride

$$$$ Data

M. F.

C10H14ClNO3

Suppliers	Catalog Number
Enamine	EN300-125016

Database	Data ID
PubChem	71757982

M. W.

231.67606

CAS

Similarity

N/A

ID: 246409

(1-cyanocyclopentyl)methanesulfonyl chloride

$$$$ Data

M. F.

C7H10ClNO2S

Suppliers	Catalog Number
Enamine	EN300-125018

Database	Data ID
PubChem	71757983

M. W.

207.6778

CAS

Similarity

N/A

ID: 246410

2-[4-(trifluoromethyl)piperidin-1-yl]acetic acid hydrochloride

$$$$ Data

M. F.

C8H13ClF3NO2

Suppliers	Catalog Number
Enamine	EN300-125019

Database	Data ID
PubChem	71757984

M. W.

247.6425296

CAS

Similarity

N/A

ID: 246411

5-methyl-2-[3-(morpholine-4-sulfonyl)phenyl]-1,3-oxazole-4-carboxylic acid

$$$$ Data

M. F.

C15H16N2O6S

Suppliers	Catalog Number
Enamine	EN300-12502

Database	Data ID
PubChem	4961940

M. W.

352.36234

CAS

Similarity

N/A

ID: 246412

1-methyl-1,8-diazaspiro[4.5]decane dihydrochloride

$$$$ Data

M. F.

C9H20Cl2N2

Suppliers	Catalog Number
Enamine	EN300-125020

Database	Data ID
PubChem	71757985

M. W.

227.1745

CAS

Similarity

N/A

ID: 246413

(2,5-dichlorothiophen-3-yl)methanamine hydrochloride

$$$$ Data

M. F.

C5H6Cl3NS

Suppliers	Catalog Number
Enamine	EN300-125021

Database	Data ID
PubChem	71757986

M. W.

218.53184

CAS

Similarity

N/A

ID: 246414

(1-cyanocyclopentyl)methanesulfonamide

$$$$ Data

M. F.

C7H12N2O2S

Suppliers	Catalog Number
Enamine	EN300-125023

Database	Data ID
PubChem	71757987

M. W.

188.24738

CAS

Similarity

N/A

ID: 246415

2-cyano-2,2-dimethylethane-1-sulfonyl chloride

$$$$ Data

M. F.

C5H8ClNO2S

Suppliers	Catalog Number
Enamine	EN300-125024

Database	Data ID
PubChem	71757988

M. W.

181.64052

CAS

Similarity

N/A

ID: 246416

2-cyano-2,2-dimethylethane-1-sulfonamide

$$$$ Data

M. F.

C5H10N2O2S

Suppliers	Catalog Number
Enamine	EN300-125025

Database	Data ID
PubChem	71757989

M. W.

162.2101

CAS

Similarity

N/A

ID: 246417

(2E)-3-[6-oxo-1-(propan-2-yl)-1H,6H,7H-pyrazolo[3,4-b]pyridin-5-yl]prop-2-enoic ...

$$$$ Data

M. F.

C12H13N3O3

Suppliers	Catalog Number
Enamine	EN300-12503

Database	Data ID
PubChem	6235465

M. W.

247.24992

CAS

Similarity

N/A

ID: 246418

2-(1-aminocyclopropyl)acetic acid hydrochloride

$$$$ Data

M. F.

C5H10ClNO2

Suppliers	Catalog Number
Enamine	EN300-125030

Database	Data ID
PubChem	57347136

M. W.

151.5914

CAS

Similarity

N/A

ID: 246419

3-cyano-6-(propan-2-yl)-2-sulfanylpyridine-4-carboxylic acid

$$$$ Data

M. F.

C10H10N2O2S

Suppliers	Catalog Number
Enamine	EN300-12504

Database	Data ID
PubChem	4961942

M. W.

222.2636

CAS

Similarity

N/A

ID: 246420

2-(4-amino-2,3-dihydro-1H-isoindol-2-yl)propan-1-ol

$$$$ Data

M. F.

C11H16N2O

Suppliers	Catalog Number
Enamine	EN300-125044

Database	Data ID
PubChem	24278647

M. W.

192.25754

CAS

Similarity

N/A

ID: 246421

1-methyl-1H-imidazole-2-carbothioamide

$$$$ Data

M. F.

C5H7N3S

Suppliers	Catalog Number
Enamine	EN300-125046
A&J Pharmtech	AJA-O32406

Database	Data ID
PubChem	53249860

M. W.

141.19418

CAS

885281-13-0

Similarity

N/A

ID: 246422

benzyl[(4-bromophenyl)methyl]amine

$$$$ Data

M. F.

C14H14BrN

Suppliers	Catalog Number
ChemBridge	5937785
Enamine	EN300-125047

Database	Data ID
PubChem	3876431

M. W.

276.17166

CAS

55096-89-4

Similarity

N/A

ID: 246423

3-(chloromethyl)-1-phenyl-1H-1,2,4-triazole

$$$$ Data

M. F.

C9H8ClN3

Suppliers	Catalog Number
Enamine	EN300-125049

Database	Data ID
PubChem	15707897

M. W.

193.63292

CAS

Similarity

N/A

ID: 246424

3-(benzylamino)butan-1-ol

$$$$ Data

M. F.

C11H17NO

Suppliers	Catalog Number
Enamine	EN300-125050

Database	Data ID
PubChem	10464904

M. W.

179.25878

CAS

Similarity

N/A

ID: 246425

1-(pyrrolidine-1-carbonyl)-6-azaspiro[2.5]octane hydrochloride

$$$$ Data

M. F.

C12H21ClN2O

Suppliers	Catalog Number
Enamine	EN300-125052

Database	Data ID
PubChem	71757990

M. W.

244.76094

CAS

Similarity

N/A

ID: 246426

1-(piperidine-1-carbonyl)-6-azaspiro[2.5]octane hydrochloride

$$$$ Data

M. F.

C13H23ClN2O

Suppliers	Catalog Number
Enamine	EN300-125053

Database	Data ID
PubChem	71757991

M. W.

258.78752

CAS

Similarity

N/A

ID: 246427

N-cyclopropyl-N-methyl-6-azaspiro[2.5]octane-1-carboxamide hydrochloride

$$$$ Data

M. F.

C12H21ClN2O

Suppliers	Catalog Number
Enamine	EN300-125054

Database	Data ID
PubChem	71757992

M. W.

244.76094

CAS

Similarity

N/A

ID: 246428

2,5,5-trimethylmorpholine

$$$$ Data

M. F.

C7H15NO

Suppliers	Catalog Number
Enamine	EN300-125055

Database	Data ID
PubChem	22689116

M. W.

129.2001

CAS

Similarity

N/A

ID: 246429

(1R)-1-(4-aminophenyl)ethan-1-ol

$$$$ Data

M. F.

C8H11NO

Suppliers	Catalog Number
Enamine	EN300-125056

Database	Data ID
PubChem	6951271

M. W.

137.17904

CAS

Similarity

N/A

ID: 246430

1-[(tert-butoxy)carbonyl]pyrrolidine-3,3-dicarboxylic acid

$$$$ Data

M. F.

C11H17NO6

Suppliers	Catalog Number
Enamine	EN300-125057

Database	Data ID
PubChem	71757993

M. W.

259.25578

CAS

Similarity

N/A

ID: 246431

2,3,4,9-tetrahydro-1H-carbazole-6-carbonitrile

$$$$ Data

M. F.

C13H12N2

Suppliers	Catalog Number
Enamine	EN300-125058

Database	Data ID
PubChem	244148

M. W.

196.24778

CAS

Similarity

N/A

ID: 246432

1-[(2-bromophenyl)methyl]piperidin-4-one

$$$$ Data

M. F.

C12H14BrNO

Suppliers	Catalog Number
Enamine	EN300-125059
A&J Pharmtech	AJA-O21341

Database	Data ID
PubChem	24694542

M. W.

268.14966

CAS

Similarity

N/A

ID: 246433

3-cyano-2-sulfanyl-6-(thiophen-2-yl)pyridine-4-carboxylic acid

$$$$ Data

M. F.

C11H6N2O2S2

Suppliers	Catalog Number
Enamine	EN300-12506

Database	Data ID
PubChem	4961944

M. W.

262.30754

CAS

Similarity

N/A

ID: 246434

3-[3-(difluoromethoxy)phenyl]-3-oxopropanenitrile

$$$$ Data

M. F.

C10H7F2NO2

Suppliers	Catalog Number
Enamine	EN300-125060

Database	Data ID
PubChem	43123830

M. W.

211.1648864

CAS

Similarity

N/A

ID: 246435

N,N-dimethyl-4-[(methylamino)methyl]pyrimidin-2-amine

$$$$ Data

M. F.

C8H14N4

Suppliers	Catalog Number
Enamine	EN300-125061

Database	Data ID
PubChem	62749331

M. W.

166.22356

CAS

Similarity

N/A

ID: 246436

1-(bromomethyl)-3-methylcyclohexane

$$$$ Data

M. F.

C8H15Br

Suppliers	Catalog Number
Enamine	EN300-125062

Database	Data ID
PubChem	65438347

M. W.

191.1087

CAS

Similarity

N/A

ID: 246437

(2R)-2-(methylamino)propanamide hydrochloride

$$$$ Data

M. F.

C4H11ClN2O

Suppliers	Catalog Number
Enamine	EN300-125063

Database	Data ID
PubChem	71757994

M. W.

138.59594

CAS

Similarity

N/A

ID: 246438

7-bromo-2,3,4,5-tetrahydro-1H-1-benzazepine

$$$$ Data

M. F.

C10H12BrN

Suppliers	Catalog Number
Enamine	EN300-125064

Database	Data ID
PubChem	12148829

M. W.

226.11298

CAS

Similarity

N/A

ID: 246439

2-(1-methylazetidin-3-yl)ethan-1-ol

$$$$ Data

M. F.

C6H13NO

Suppliers	Catalog Number
Enamine	EN300-125065

Database	Data ID
PubChem	60004808

M. W.

115.17352

CAS

Similarity

N/A

ID: 246440

tert-butyl 9-bromo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-4-carboxylate

$$$$ Data

M. F.

C14H19BrN2O2

Suppliers	Catalog Number
Enamine	EN300-125066

Database	Data ID
PubChem	53350365

M. W.

327.21686

CAS

Similarity

N/A

ID: 246441

benzyl(dodecan-2-yl)amine

$$$$ Data

M. F.

C19H33N

Suppliers	Catalog Number
Enamine	EN300-125068

Database	Data ID
PubChem	71757995

M. W.

275.47202

CAS

Similarity

N/A

ID: 246442

2-(morpholin-4-yl)-1,3-benzoxazol-6-amine

$$$$ Data

M. F.

C11H13N3O2

Suppliers	Catalog Number
Enamine	EN300-12507

Database	Data ID
PubChem	4961945

M. W.

219.23982

CAS

Similarity

N/A

ID: 246443

1-aminoazetidin-2-one hydrochloride

$$$$ Data

M. F.

C3H7ClN2O

Suppliers	Catalog Number
Enamine	EN300-125077

Database	Data ID
PubChem	71757996

M. W.

122.55348

CAS

Similarity

N/A

ID: 246444

4-methyl-4H-[1,2,4]triazino[5,6-b]indole-3-thiol

$$$$ Data

M. F.

C10H8N4S

Suppliers	Catalog Number
Enamine	EN300-12508

Database	Data ID
PubChem	4961946

M. W.

216.26232

CAS

Similarity

N/A

ID: 246445

2-methyl-3-(morpholin-4-yl)aniline dihydrochloride

$$$$ Data

M. F.

C11H18Cl2N2O

Suppliers	Catalog Number
Enamine	EN300-125080

Database	Data ID
PubChem	71757997

M. W.

265.17942

CAS

Similarity

N/A

ID: 246446

3-[4-(propan-2-yloxy)phenyl]propanal

$$$$ Data

M. F.

C12H16O2

Suppliers	Catalog Number
Enamine	EN300-125081

Database	Data ID
PubChem	21533115

M. W.

192.25424

CAS

Similarity

N/A

ID: 246447

4-fluoro-5-methyl-1H-pyrazole-3-carboxylic acid

$$$$ Data

M. F.

C5H5FN2O2

Suppliers	Catalog Number
Enamine	EN300-125082

Database	Data ID
PubChem	24180571

M. W.

144.1038032

CAS

Similarity

N/A

ID: 246448

5-fluoro-1,3-dihydro-2,1-benzoxaborol-1-ol

$$$$ Data

M. F.

C7H6BFO2

Suppliers	Catalog Number
Enamine	EN300-125084

Database	Data ID
PubChem	11499245

M. W.

151.9307432

CAS

Similarity

N/A

ID: 246449

1-(4-methoxyphenyl)-5-methyl-1H-pyrazole-3-carboxylic acid

$$$$ Data

M. F.

C12H12N2O3

Suppliers	Catalog Number
Enamine	EN300-125085

Database	Data ID
PubChem	22831891

M. W.

232.23528

CAS

Similarity

N/A

ID: 246450

1-[1-amino-2-(3-fluorophenoxy)ethyl]-3-(trifluoromethyl)benzene hydrochloride

$$$$ Data

M. F.

C15H14ClF4NO

Suppliers	Catalog Number
Enamine	EN300-125086

Database	Data ID
PubChem	71757998

M. W.

335.7243728

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