Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C6H8N2O

Suppliers	Catalog Number
ChemBridge	4043500
Enamine	EN300-71708

Database	Data ID
PubChem	50987709

M. W.

124.14052

CAS

Similarity

N/A

ID: 271702

5-[(3-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine

$$$$ Data

M. F.

C9H8FN3S

Suppliers	Catalog Number
Enamine	EN300-71711

Database	Data ID
PubChem	6486678

M. W.

209.2433232

CAS

Similarity

N/A

ID: 271703

5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine

$$$$ Data

M. F.

C10H11N3OS

Suppliers	Catalog Number
Enamine	EN300-71712

Database	Data ID
PubChem	3252288

M. W.

221.27884

CAS

Similarity

N/A

ID: 271704

1-{[5-(thiophen-2-yl)-1,2,4-oxadiazol-3-yl]methyl}piperazine dihydrochloride

$$$$ Data

M. F.

C11H16Cl2N4OS

Suppliers	Catalog Number
Enamine	EN300-71713

Database	Data ID
PubChem	50988266

M. W.

323.24194

CAS

Similarity

N/A

ID: 271705

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

$$$$ Data

M. F.

C12H14FNO4

Suppliers	Catalog Number
Enamine	EN300-71720

Database	Data ID
PubChem	50986466

M. W.

255.2422632

CAS

Similarity

N/A

ID: 271706

2-(2,4-difluorophenoxy)-2-phenylacetic acid

$$$$ Data

M. F.

C14H10F2O3

Suppliers	Catalog Number
Enamine	EN300-71721

Database	Data ID
PubChem	18072379

M. W.

264.2242064

CAS

Similarity

N/A

ID: 271707

benzyl 4-[(chlorosulfonyl)methyl]piperidine-1-carboxylate

$$$$ Data

M. F.

C14H18ClNO4S

Suppliers	Catalog Number
Enamine	EN300-71725

Database	Data ID
PubChem	50988934

M. W.

331.81502

CAS

Similarity

N/A

ID: 271708

methyl 2-hydroxy-2-(pyridin-3-yl)acetate hydrochloride

$$$$ Data

M. F.

C8H10ClNO3

Suppliers	Catalog Number
Enamine	EN300-71729

Database	Data ID
PubChem	50988556

M. W.

203.6229

CAS

Similarity

N/A

ID: 271709

2-(4-formyl-2-methoxy-5-nitrophenoxy)acetic acid

$$$$ Data

M. F.

C10H9NO7

Suppliers	Catalog Number
Enamine	EN300-71738

Database	Data ID
PubChem	146193

M. W.

255.18096

CAS

Similarity

N/A

ID: 271710

3-[(2,2,2-trifluoroethyl)amino]propanenitrile hydrochloride

$$$$ Data

M. F.

C5H8ClF3N2

Suppliers	Catalog Number
Enamine	EN300-71739

Database	Data ID
PubChem	50988608

M. W.

188.5786296

CAS

Similarity

N/A

ID: 271711

2-{4-chloro-5H,6H,7H-cyclopenta[d]pyrimidin-2-yl}pyridine

$$$$ Data

M. F.

C12H10ClN3

Suppliers	Catalog Number
Enamine	EN300-71740

Database	Data ID
PubChem	50988840

M. W.

231.6809

CAS

Similarity

N/A

ID: 271712

2-(morpholin-4-yl)ethanethioamide

$$$$ Data

M. F.

C6H12N2OS

Suppliers	Catalog Number
Enamine	EN300-71742

Database	Data ID
PubChem	3847634

M. W.

160.23728

CAS

Similarity

N/A

ID: 271713

2-(4-aminopiperidin-1-yl)acetonitrile

$$$$ Data

M. F.

C7H13N3

Suppliers	Catalog Number
Enamine	EN300-71743

Database	Data ID
PubChem	43556586

M. W.

139.19822

CAS

Similarity

N/A

ID: 271714

2-(2-bromophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-one

$$$$ Data

M. F.

C13H10BrNOS

Suppliers	Catalog Number
Enamine	EN300-71744

Database	Data ID
PubChem	50987367

M. W.

308.1936

CAS

Similarity

N/A

ID: 271715

4-azido-4-(4-fluorophenyl)oxane

$$$$ Data

M. F.

C11H12FN3O

Suppliers	Catalog Number
Enamine	EN300-71746

Database	Data ID
PubChem	50989432

M. W.

221.2308832

CAS

Similarity

N/A

ID: 271716

2-(2-bromo-4-chlorophenoxy)-2-phenylacetic acid

$$$$ Data

M. F.

C14H10BrClO3

Suppliers	Catalog Number
Enamine	EN300-71747

Database	Data ID
PubChem	22683110

M. W.

341.5844

CAS

Similarity

N/A

ID: 271717

2-fluoro-6-phenoxyaniline

$$$$ Data

M. F.

C12H10FNO

Suppliers	Catalog Number
Enamine	EN300-71748

Database	Data ID
PubChem	50989654

M. W.

203.2123032

CAS

Similarity

N/A

ID: 271718

1-{2-[(3,4-dimethoxyphenyl)methyl]-4-methyl-1,3-thiazol-5-yl}ethan-1-one

$$$$ Data

M. F.

C15H17NO3S

Suppliers	Catalog Number
Enamine	EN300-71749

Database	Data ID
PubChem	31264227

M. W.

291.36538

CAS

Similarity

N/A

ID: 271719

4-chloro-2-[5-(furan-2-yl)-1H-pyrazol-3-yl]phenol

$$$$ Data

M. F.

C13H9ClN2O2

Suppliers	Catalog Number
Enamine	EN300-71752

Database	Data ID
PubChem	6262436

M. W.

260.67576

CAS

Similarity

N/A

ID: 271720

2-[hexyl(methyl)amino]acetic acid hydrochloride

$$$$ Data

M. F.

C9H20ClNO2

Suppliers	Catalog Number
Enamine	EN300-71755

Database	Data ID
PubChem	50988216

M. W.

209.7136

CAS

Similarity

N/A

ID: 271721

4-(2,3,5-trimethylphenoxy)butanoic acid

$$$$ Data

M. F.

C13H18O3

Suppliers	Catalog Number
Enamine	EN300-71756

Database	Data ID
PubChem	14492659

M. W.

222.28022

CAS

Similarity

N/A

ID: 271722

(4-chlorophenyl)(pyridin-3-yl)methanol

$$$$ Data

M. F.

C12H10ClNO

Suppliers	Catalog Number
Enamine	EN300-71757

Database	Data ID
PubChem	240724

M. W.

219.6669

CAS

Similarity

N/A

ID: 271723

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

$$$$ Data

M. F.

C9H8O2

Suppliers	Catalog Number
Enamine	EN300-71758

Database	Data ID
PubChem	11073569

M. W.

148.15862

CAS

Similarity

N/A

ID: 271724

{6-[(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)oxy]hexan-2-yl}(ethyl)amine

$$$$ Data

M. F.

C18H29NO2

Suppliers	Catalog Number
Enamine	EN300-71759

Database	Data ID
PubChem	50987970

M. W.

291.42836

CAS

Similarity

N/A

ID: 271725

4,4-dimethyl-1-(4-methylphenyl)pentane-1,3-dione

$$$$ Data

M. F.

C14H18O2

Suppliers	Catalog Number
Enamine	EN300-71760

Database	Data ID
PubChem	43114754

M. W.

218.29152

CAS

Similarity

N/A

ID: 271726

methyl 3-methyl-4-[(propan-2-yl)amino]benzoate

$$$$ Data

M. F.

C12H17NO2

Suppliers	Catalog Number
Enamine	EN300-71763

Database	Data ID
PubChem	43730599

M. W.

207.26888

CAS

Similarity

N/A

ID: 271727

2-{[2-(propane-1-sulfonyl)phenyl]sulfanyl}propanoic acid

$$$$ Data

M. F.

C12H16O4S2

Suppliers	Catalog Number
Enamine	EN300-71765

Database	Data ID
PubChem	43453618

M. W.

288.38304

CAS

Similarity

N/A

ID: 271728

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

$$$$ Data

M. F.

C6H15NO

Suppliers	Catalog Number
Enamine	EN300-71766

Database	Data ID
PubChem	276926

M. W.

117.1894

CAS

Similarity

N/A

ID: 271729

1-fluoro-3-(prop-2-yn-1-yloxy)benzene

$$$$ Data

M. F.

C9H7FO

Suppliers	Catalog Number
Enamine	EN300-71767

Database	Data ID
PubChem	14513182

M. W.

150.1496832

CAS

Similarity

N/A

ID: 271730

1-tert-butyl-4-(prop-2-yn-1-yloxy)benzene

$$$$ Data

M. F.

C13H16O

Suppliers	Catalog Number
Enamine	EN300-71768

Database	Data ID
PubChem	142674

M. W.

188.26554

CAS

Similarity

N/A

ID: 271731

1,2,3,4-tetrahydronaphthalene-1-carbaldehyde

$$$$ Data

M. F.

C11H12O

Suppliers	Catalog Number
Enamine	EN300-71776
A&J Pharmtech	AJA-O9806

Database	Data ID
PubChem	366956

M. W.

160.21238

CAS

18278-24-5

Similarity

N/A

ID: 271732

1-(piperazin-1-yl)butan-2-ol

$$$$ Data

M. F.

C8H18N2O

Suppliers	Catalog Number
Enamine	EN300-71777

Database	Data ID
PubChem	14324893

M. W.

158.24132

CAS

Similarity

N/A

ID: 271733

1-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazine

$$$$ Data

M. F.

C14H17N3O

Suppliers	Catalog Number
Enamine	EN300-71778

Database	Data ID
PubChem	43162406

M. W.

243.30428

CAS

Similarity

N/A

ID: 271734

imidazo[1,2-a]pyridine-2-carboxylic acid hydrochloride

$$$$ Data

M. F.

C8H7ClN2O2

Suppliers	Catalog Number
Enamine	EN300-71780

Database	Data ID
PubChem	50988788

M. W.

198.60638

CAS

Similarity

N/A

ID: 271735

3-(1H-pyrazol-1-yl)butan-2-amine

$$$$ Data

M. F.

C7H13N3

Suppliers	Catalog Number
Enamine	EN300-71802

Database	Data ID
PubChem	16641631

M. W.

139.19822

CAS

Similarity

N/A

ID: 271736

3-(4-methyl-1H-pyrazol-1-yl)butan-2-amine

$$$$ Data

M. F.

C8H15N3

Suppliers	Catalog Number
Enamine	EN300-71803

Database	Data ID
PubChem	54592650

M. W.

153.2248

CAS

Similarity

N/A

ID: 271737

1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpiperidin-3-amine

$$$$ Data

M. F.

C11H20N4O

Suppliers	Catalog Number
Enamine	EN300-71814

Database	Data ID
PubChem	54592651

M. W.

224.3027

CAS

Similarity

N/A

ID: 271738

1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine

$$$$ Data

M. F.

C10H18N4O

Suppliers	Catalog Number
Enamine	EN300-71815

Database	Data ID
PubChem	54592652

M. W.

210.27612

CAS

Similarity

N/A

ID: 271739

2-(thiophen-2-ylmethoxy)benzoic acid

$$$$ Data

M. F.

C12H10O3S

Suppliers	Catalog Number
Enamine	EN300-71822

Database	Data ID
PubChem	12423425

M. W.

234.271

CAS

Similarity

N/A

ID: 271740

1-(prop-2-yn-1-yl)-1H-imidazole hydrochloride

$$$$ Data

M. F.

C6H7ClN2

Suppliers	Catalog Number
Enamine	EN300-71823

Database	Data ID
PubChem	50988034

M. W.

142.58618

CAS

Similarity

N/A

ID: 271741

cyclobutanecarbaldehyde

$$$$ Data

M. F.

C5H8O

Suppliers	Catalog Number
Enamine	EN300-71825

Database	Data ID
PubChem	12431621

M. W.

84.11642

CAS

Similarity

N/A

ID: 271742

2-{4-[(9H-fluoren-9-ylmethoxy)carbonyl]morpholin-3-yl}acetic acid

$$$$ Data

M. F.

C21H21NO5

Suppliers	Catalog Number
Enamine	EN300-71827
A&J Pharmtech	AJA-O31644

Database	Data ID
PubChem	50990550

M. W.

367.39514

CAS

885273-95-0

Similarity

N/A

ID: 271743

2-[2-(benzyloxy)phenoxy]acetic acid

$$$$ Data

M. F.

C15H14O4

Suppliers	Catalog Number
Enamine	EN300-71830

Database	Data ID
PubChem	10825079

M. W.

258.26926

CAS

Similarity

N/A

ID: 271744

1-(4-phenyl-1,3-thiazol-2-yl)ethan-1-amine hydrochloride

$$$$ Data

M. F.

C11H13ClN2S

Suppliers	Catalog Number
Enamine	EN300-71832

Database	Data ID
PubChem	50988112

M. W.

240.75232

CAS

Similarity

N/A

ID: 271745

4-(4-tert-butyl-1,3-thiazol-2-yl)piperidine dihydrochloride

$$$$ Data

M. F.

C12H22Cl2N2S

Suppliers	Catalog Number
Enamine	EN300-71833

Database	Data ID
PubChem	54592653

M. W.

297.28748

CAS

Similarity

N/A

ID: 271746

4-(pyridin-2-yloxy)aniline

$$$$ Data

M. F.

C11H10N2O

Suppliers	Catalog Number
Enamine	EN300-71835

Database	Data ID
PubChem	13150574

M. W.

186.2099

CAS

Similarity

N/A

ID: 271747

1-(prop-2-yn-1-yl)pyrrolidin-2-one

$$$$ Data

M. F.

C7H9NO

Suppliers	Catalog Number
Enamine	EN300-71836

Database	Data ID
PubChem	12464313

M. W.

123.15246

CAS

Similarity

N/A

ID: 271748

methyl 3-amino-2-(3-methylphenyl)propanoate hydrochloride

$$$$ Data

M. F.

C11H16ClNO2

Suppliers	Catalog Number
Enamine	EN300-71837

Database	Data ID
PubChem	50988539

M. W.

229.70324

CAS

Similarity

N/A

ID: 271749

2-(4-bromo-2-chlorophenoxy)-2-phenylacetic acid

$$$$ Data

M. F.

C14H10BrClO3

Suppliers	Catalog Number
Enamine	EN300-71839

Database	Data ID
PubChem	20991506

M. W.

341.5844

CAS

Similarity

N/A

ID: 271750

2-methyl-2-[4-(2-methylpropoxy)phenyl]propanoic acid

$$$$ Data

M. F.

C14H20O3

Suppliers	Catalog Number
Enamine	EN300-71840

Database	Data ID
PubChem	50986570

M. W.

236.3068

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