Chembase list of 866358 unique molecular structures

2-(2-phenylethenyl)-4-(pyridin-3-ylmethylidene)-4,5-dihydro-1,3-oxazol-5-one

$$$$ Data

M. F.

C17H12N2O2

Suppliers	Catalog Number
Enamine	EN300-95863

Database	Data ID
PubChem	5676111

M. W.

276.28938

CAS

Similarity

N/A

ID: 285052

N-(2-methoxyphenyl)prop-2-enamide

$$$$ Data

M. F.

C10H11NO2

Suppliers	Catalog Number
Enamine	EN300-95864

Database	Data ID
PubChem	4380399

M. W.

177.19984

CAS

Similarity

N/A

ID: 285053

ethyl (3S)-3-amino-3-(4-bromophenyl)propanoate hydrochloride

$$$$ Data

M. F.

C11H15BrClNO2

Suppliers	Catalog Number
Enamine	EN300-95865

Database	Data ID
PubChem	56828079

M. W.

308.5993

CAS

Similarity

N/A

ID: 285054

ethyl (3R)-3-amino-3-(4-bromophenyl)propanoate hydrochloride

$$$$ Data

M. F.

C11H15BrClNO2

Suppliers	Catalog Number
Enamine	EN300-95866

Database	Data ID
PubChem	56828080

M. W.

308.5993

CAS

Similarity

N/A

ID: 285055

2',3'-dihydrospiro[cyclopropane-1,1'-indene]-2-carboxylic acid

$$$$ Data

M. F.

C12H12O2

Suppliers	Catalog Number
Enamine	EN300-95867

Database	Data ID
PubChem	62388836

M. W.

188.22248

CAS

Similarity

N/A

ID: 285056

methyl 4-methoxythiophene-2-carboxylate

$$$$ Data

M. F.

C7H8O3S

Suppliers	Catalog Number
Enamine	EN300-95869

Database	Data ID
PubChem	12646620

M. W.

172.20162

CAS

Similarity

N/A

ID: 285057

4-(2,3-dichlorophenyl)piperidine

$$$$ Data

M. F.

C11H13Cl2N

Suppliers	Catalog Number
Enamine	EN300-95870

Database	Data ID
PubChem	17895683

M. W.

230.13362

CAS

Similarity

N/A

ID: 285058

3-(thiophen-2-yl)thiomorpholine

$$$$ Data

M. F.

C8H11NS2

Suppliers	Catalog Number
Enamine	EN300-95871

Database	Data ID
PubChem	60727914

M. W.

185.30964

CAS

Similarity

N/A

ID: 285059

2-ethoxyethane-1-thiol

$$$$ Data

M. F.

C4H10OS

Suppliers	Catalog Number
Enamine	EN300-95872

Database	Data ID
PubChem	28497

M. W.

106.1866

CAS

Similarity

N/A

ID: 285060

(3S)-1-azabicyclo[2.2.1]heptan-3-amine

$$$$ Data

M. F.

C6H12N2

Suppliers	Catalog Number
Enamine	EN300-95875

Database	Data ID
PubChem	73994656

M. W.

112.17288

CAS

Similarity

N/A

ID: 285061

(3S)-1-azabicyclo[2.2.1]heptan-3-ol

$$$$ Data

M. F.

C6H11NO

Suppliers	Catalog Number
Enamine	EN300-95878

Database	Data ID
PubChem	14453850

M. W.

113.15764

CAS

Similarity

N/A

ID: 285062

3-(dimethylamino)-2-methanesulfonylprop-2-enenitrile

$$$$ Data

M. F.

C6H10N2O2S

Suppliers	Catalog Number
Enamine	EN300-95882

Database	Data ID
PubChem	1488225

M. W.

174.2208

CAS

Similarity

N/A

ID: 285063

tert-butyl N-(3-cyanophenyl)carbamate

$$$$ Data

M. F.

C12H14N2O2

Suppliers	Catalog Number
Alfa Aesar	H54442
Enamine	EN300-95891

Database	Data ID
PubChem	12129277

M. W.

218.25176

CAS

Similarity

N/A

ID: 285064

2-[1-(benzylamino)cyclobutyl]ethan-1-ol

$$$$ Data

M. F.

C13H19NO

Suppliers	Catalog Number
Enamine	EN300-95892

Database	Data ID
PubChem	58134720

M. W.

205.29606

CAS

Similarity

N/A

ID: 285065

4,5-dimethoxy-2-methylbenzoic acid

$$$$ Data

M. F.

C10H12O4

Suppliers	Catalog Number
Enamine	EN300-95893

Database	Data ID
PubChem	2752038

M. W.

196.19988

CAS

Similarity

N/A

ID: 285066

4-amino-3-fluorobenzamide

$$$$ Data

M. F.

C7H7FN2O

Suppliers	Catalog Number
Enamine	EN300-95896

Database	Data ID
PubChem	12118053

M. W.

154.1416832

CAS

Similarity

N/A

ID: 285067

methyl 4-cyclohexylpyrrolidine-2-carboxylate hydrochloride

$$$$ Data

M. F.

C12H22ClNO2

Suppliers	Catalog Number
Enamine	EN300-95898

Database	Data ID
PubChem	56828081

M. W.

247.76158

CAS

Similarity

N/A

ID: 285068

3-(acetamidomethyl)benzoic acid

$$$$ Data

M. F.

C10H11NO3

Suppliers	Catalog Number
Enamine	EN300-95899

Database	Data ID
PubChem	506074

M. W.

193.19924

CAS

Similarity

N/A

ID: 285069

5-(5-bromo-2-fluorophenyl)imidazolidine-2,4-dione

$$$$ Data

M. F.

C9H6BrFN2O2

Suppliers	Catalog Number
Enamine	EN300-95900

Database	Data ID
PubChem	16794174

M. W.

273.0585432

CAS

Similarity

N/A

ID: 285070

5-fluoro-N-methyl-2-nitroaniline

$$$$ Data

M. F.

C7H7FN2O2

Suppliers	Catalog Number
Enamine	EN300-95901

Database	Data ID
PubChem	22905774

M. W.

170.1410832

CAS

Similarity

N/A

ID: 285071

methyl 1-(2-sulfamoylethyl)piperidine-4-carboxylate

$$$$ Data

M. F.

C9H18N2O4S

Suppliers	Catalog Number
Enamine	EN300-95902

Database	Data ID
PubChem	56828082

M. W.

250.31522

CAS

Similarity

N/A

ID: 285072

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

$$$$ Data

M. F.

C4H10Cl2N4

Suppliers	Catalog Number
Enamine	EN300-95904

Database	Data ID
PubChem	56828083

M. W.

185.055

CAS

Similarity

N/A

ID: 285073

4-{6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl}piperidine

$$$$ Data

M. F.

C11H15N5

Suppliers	Catalog Number
Enamine	EN300-95905

Database	Data ID
PubChem	56828709

M. W.

217.2703

CAS

Similarity

N/A

ID: 285074

2,2-dimethyl-1,2,3,4-tetrahydroquinoxaline

$$$$ Data

M. F.

C10H14N2

Suppliers	Catalog Number
Enamine	EN300-95907

Database	Data ID
PubChem	11961558

M. W.

162.23156

CAS

Similarity

N/A

ID: 285075

N-[(4-nitrophenyl)methyl]aniline

$$$$ Data

M. F.

C13H12N2O2

Suppliers	Catalog Number
Enamine	EN300-95908

Database	Data ID
PubChem	96956

M. W.

228.24658

CAS

Similarity

N/A

ID: 285076

4-(ethoxymethyl)aniline

$$$$ Data

M. F.

C9H13NO

Suppliers	Catalog Number
Enamine	EN300-95910

Database	Data ID
PubChem	16782297

M. W.

151.20562

CAS

Similarity

N/A

ID: 285077

methyl 3-{[(2,3-difluorophenyl)methyl]amino}propanoate

$$$$ Data

M. F.

C11H13F2NO2

Suppliers	Catalog Number
Enamine	EN300-95913

Database	Data ID
PubChem	56828243

M. W.

229.2232264

CAS

Similarity

N/A

ID: 285078

[(1-benzylpyrrolidin-3-yl)methyl](2,2,2-trifluoroethyl)amine

$$$$ Data

M. F.

C14H19F3N2

Suppliers	Catalog Number
Enamine	EN300-95914

Database	Data ID
PubChem	14280884

M. W.

272.3092696

CAS

Similarity

N/A

ID: 285079

2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-3-one

$$$$ Data

M. F.

C5H4N4O

Suppliers	Catalog Number
Enamine	EN300-95915

Database	Data ID
PubChem	21828217

M. W.

136.11146

CAS

Similarity

N/A

ID: 285080

N,3,5-trimethyl-1,2-oxazol-4-amine

$$$$ Data

M. F.

C6H10N2O

Suppliers	Catalog Number
Enamine	EN300-95916

Database	Data ID
PubChem	22273553

M. W.

126.1564

CAS

Similarity

N/A

ID: 285081

3,4-bis(trifluoromethyl)pyrrolidine hydrochloride

$$$$ Data

M. F.

C6H8ClF6N

Suppliers	Catalog Number
Enamine	EN300-95926

Database	Data ID
PubChem	56828084

M. W.

243.5778392

CAS

Similarity

N/A

ID: 285082

2,6-dimethyl-4-nitroaniline

$$$$ Data

M. F.

C8H10N2O2

Suppliers	Catalog Number
Enamine	EN300-95928

Database	Data ID
PubChem	28159

M. W.

166.1772

CAS

Similarity

N/A

ID: 285083

5-formyl-N,N-dimethyl-1H-pyrrole-2-carboxamide

$$$$ Data

M. F.

C8H10N2O2

Suppliers	Catalog Number
Enamine	EN300-95933

Database	Data ID
PubChem	73994657

M. W.

166.1772

CAS

Similarity

N/A

ID: 285084

1-(4-methylphenyl)-2-(pyridin-2-yl)ethan-1-one

$$$$ Data

M. F.

C14H13NO

Suppliers	Catalog Number
Enamine	EN300-95943
Bide Pharmatech	BD241099

Database	Data ID
PubChem	20316388

M. W.

211.25912

CAS

72076-59-6

Similarity

N/A

ID: 285085

methyl 2-amino-3-(5-bromo-1H-indol-3-yl)propanoate

$$$$ Data

M. F.

C12H13BrN2O2

Suppliers	Catalog Number
Enamine	EN300-95944

Database	Data ID
PubChem	14728699

M. W.

297.14782

CAS

Similarity

N/A

ID: 285086

methyl 1,2,3,4-tetrahydroisoquinoline-1-carboxylate hydrochloride

$$$$ Data

M. F.

C11H14ClNO2

Suppliers	Catalog Number
Enamine	EN300-95945

Database	Data ID
PubChem	20136315

M. W.

227.68736

CAS

Similarity

N/A

ID: 285087

4-(2-hydroxyethoxy)phenol

$$$$ Data

M. F.

C8H10O3

Suppliers	Catalog Number
Enamine	EN300-95947

Database	Data ID
PubChem	9834014

M. W.

154.1632

CAS

Similarity

N/A

ID: 285088

1-(2-nitroethenyl)naphthalene

$$$$ Data

M. F.

C12H9NO2

Suppliers	Catalog Number
Enamine	EN300-95948

Database	Data ID
PubChem	5381679

M. W.

199.20536

CAS

Similarity

N/A

ID: 285089

2-ethanehydrazonoylpyrazine

$$$$ Data

M. F.

C6H8N4

Suppliers	Catalog Number
Enamine	EN300-95949

Database	Data ID
PubChem	18646936

M. W.

136.15452

CAS

Similarity

N/A

ID: 285090

2-(cyclopentyloxy)acetonitrile

$$$$ Data

M. F.

C7H11NO

Suppliers	Catalog Number
Enamine	EN300-95950

Database	Data ID
PubChem	12642366

M. W.

125.16834

CAS

Similarity

N/A

ID: 285091

2-methyl-2-(methylsulfanyl)propan-1-amine

$$$$ Data

M. F.

C5H13NS

Suppliers	Catalog Number
Enamine	EN300-95952

Database	Data ID
PubChem	20763153

M. W.

119.22842

CAS

Similarity

N/A

ID: 285092

5-chloro-2-(oxolan-2-ylmethoxy)benzaldehyde

$$$$ Data

M. F.

C12H13ClO3

Suppliers	Catalog Number
Enamine	EN300-95953

Database	Data ID
PubChem	43112122

M. W.

240.68282

CAS

Similarity

N/A

ID: 285093

2,5-diethylaniline hydrochloride

$$$$ Data

M. F.

C10H16ClN

Suppliers	Catalog Number
Enamine	EN300-95954

Database	Data ID
PubChem	56828086

M. W.

185.69374

CAS

Similarity

N/A

ID: 285094

2-chloro-1-[1-(4-fluorophenyl)-1H-1,2,3-triazol-4-yl]ethan-1-one

$$$$ Data

M. F.

C10H7ClFN3O

Suppliers	Catalog Number
Enamine	EN300-95957

Database	Data ID
PubChem	73994658

M. W.

239.6334832

CAS

Similarity

N/A

ID: 285095

N-(1-aminopropan-2-yl)aniline

$$$$ Data

M. F.

C9H14N2

Suppliers	Catalog Number
Enamine	EN300-95958

Database	Data ID
PubChem	12693166

M. W.

150.22086

CAS

Similarity

N/A

ID: 285096

3-{[(tert-butoxy)carbonyl]amino}-4-phenylbutanoic acid

$$$$ Data

M. F.

C15H21NO4

Suppliers	Catalog Number
Enamine	EN300-95960
A&J Pharmtech	AJA-O14125

Database	Data ID
PubChem	4991364

M. W.

279.33154

CAS

120378-17-8

Similarity

N/A

ID: 285097

4-(2-aminoethyl)-1λ⁶-thiane-1,1-dione hydrochloride

$$$$ Data

M. F.

C7H16ClNO2S

Suppliers	Catalog Number
Enamine	EN300-95963

Database	Data ID
PubChem	56828087

M. W.

213.72544

CAS

Similarity

N/A

ID: 285098

3-[(2,5-difluorophenyl)methyl]azetidine hydrochloride

$$$$ Data

M. F.

C10H12ClF2N

Suppliers	Catalog Number
Enamine	EN300-95974

Database	Data ID
PubChem	56828089

M. W.

219.6587864

CAS

Similarity

N/A

ID: 285099

3-bromo-4-fluorobenzene-1-sulfonyl chloride

$$$$ Data

M. F.

C6H3BrClFO2S

Suppliers	Catalog Number
Enamine	EN300-95988
Bide Pharmatech	BD226006

Database	Data ID
PubChem	21886733

M. W.

273.5072232

CAS

631912-19-1

Similarity

N/A

ID: 285100

2-(furan-2-yl)-4-methylpiperidine

$$$$ Data

M. F.

C10H15NO

Suppliers	Catalog Number
Enamine	EN300-95989

Database	Data ID
PubChem	56828090

M. W.

165.2322

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