Chembase list of 866358 unique molecular structures

tert-butyl N-({9-hydroxy-3-azabicyclo[3.3.1]nonan-7-yl}methyl)carbamate

$$$$ Data

M. F.

C14H26N2O3

Suppliers	Catalog Number
Enamine	EN300-80627

Database	Data ID
PubChem	54594312

M. W.

270.36784

CAS

Similarity

N/A

ID: 276702

2-sulfanyl-1,3-benzoxazole-6-carboxylic acid

$$$$ Data

M. F.

C8H5NO3S

Suppliers	Catalog Number
Enamine	EN300-80628
A&J Pharmtech	AJA-O21742

Database	Data ID
PubChem	20734770

M. W.

195.1952

CAS

108085-62-7

Similarity

N/A

ID: 276703

3-(furan-2-yl)-1-(3-nitrophenyl)-1H-pyrazol-5-amine

$$$$ Data

M. F.

C13H10N4O3

Suppliers	Catalog Number
Enamine	EN300-80631

Database	Data ID
PubChem	43381463

M. W.

270.2435

CAS

Similarity

N/A

ID: 276704

methyl indolizine-2-carboxylate

$$$$ Data

M. F.

C10H9NO2

Suppliers	Catalog Number
Enamine	EN300-80632

Database	Data ID
PubChem	600232

M. W.

175.18396

CAS

Similarity

N/A

ID: 276705

3-(3-aminopropoxy)-1λ⁶,2-benzothiazole-1,1-dione; trifluoroacetic ac...

$$$$ Data

M. F.

C12H13F3N2O5S

Suppliers	Catalog Number
Enamine	EN300-80634

Database	Data ID
PubChem	54594313

M. W.

354.3022296

CAS

Similarity

N/A

ID: 276706

1-(3,4-dimethoxybenzoyl)piperidin-4-amine hydrochloride

$$$$ Data

M. F.

C14H21ClN2O3

Suppliers	Catalog Number
Enamine	EN300-80635

Database	Data ID
PubChem	17221651

M. W.

300.78114

CAS

Similarity

N/A

ID: 276707

sodium 3-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate

$$$$ Data

M. F.

C10H6F2NNaO3

Suppliers	Catalog Number
Enamine	EN300-80636

Database	Data ID
PubChem	54594315

M. W.

249.1461164

CAS

Similarity

N/A

ID: 276708

3-chloro-N-(2-oxo-2-phenylethyl)propanamide

$$$$ Data

M. F.

C11H12ClNO2

Suppliers	Catalog Number
Enamine	EN300-80638

Database	Data ID
PubChem	54594316

M. W.

225.67148

CAS

Similarity

N/A

ID: 276709

2-(4-nitrophenyl)-5-(propan-2-yl)-1,3-oxazole

$$$$ Data

M. F.

C12H12N2O3

Suppliers	Catalog Number
Enamine	EN300-80639

Database	Data ID
PubChem	54594317

M. W.

232.23528

CAS

Similarity

N/A

ID: 276710

N-[cyano(cyclopropyl)methyl]benzamide

$$$$ Data

M. F.

C12H12N2O

Suppliers	Catalog Number
Enamine	EN300-80640

Database	Data ID
PubChem	54594318

M. W.

200.23648

CAS

Similarity

N/A

ID: 276711

octahydroindolizin-2-ylmethanamine dihydrochloride

$$$$ Data

M. F.

C9H20Cl2N2

Suppliers	Catalog Number
Enamine	EN300-80641

Database	Data ID
PubChem	54594319

M. W.

227.1745

CAS

Similarity

N/A

ID: 276712

methyl 2-(methylamino)-2-phenylacetate hydrochloride

$$$$ Data

M. F.

C10H14ClNO2

Suppliers	Catalog Number
Enamine	EN300-80642

Database	Data ID
PubChem	53534799

M. W.

215.67666

CAS

Similarity

N/A

ID: 276713

3-azatricyclo[4.2.1.0²,⁵]nonane

$$$$ Data

M. F.

C8H13N

Suppliers	Catalog Number
Enamine	EN300-80643

Database	Data ID
PubChem	53621930

M. W.

123.19552

CAS

Similarity

N/A

ID: 276714

5-cyclopentyl-1H-pyrazol-3-amine

$$$$ Data

M. F.

C8H13N3

Suppliers	Catalog Number
Enamine	EN300-80644
A&J Pharmtech	AJA-O31769

Database	Data ID
PubChem	22176827

M. W.

151.20892

CAS

264209-16-7

Similarity

N/A

ID: 276715

4-chloro-3-[(methylsulfanyl)methyl]aniline

$$$$ Data

M. F.

C8H10ClNS

Suppliers	Catalog Number
Enamine	EN300-80645

Database	Data ID
PubChem	54594321

M. W.

187.6897

CAS

Similarity

N/A

ID: 276716

pyridine-4-carbonyl chloride

$$$$ Data

M. F.

C6H4ClNO

Suppliers	Catalog Number
Enamine	EN300-80646

Database	Data ID
PubChem	417436

M. W.

141.55506

CAS

Similarity

N/A

ID: 276717

ethyl 2-(2-chloropropanamido)-5-methylthiophene-3-carboxylate

$$$$ Data

M. F.

C11H14ClNO3S

Suppliers	Catalog Number
Enamine	EN300-80649

Database	Data ID
PubChem	54594322

M. W.

275.75176

CAS

Similarity

N/A

ID: 276718

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

$$$$ Data

M. F.

C14H14O

Suppliers	Catalog Number
Enamine	EN300-80650

Database	Data ID
PubChem	6994253

M. W.

198.26036

CAS

Similarity

N/A

ID: 276719

3-(chloromethyl)-5-ethyl-4-methyl-4H-1,2,4-triazole hydrochloride

$$$$ Data

M. F.

C6H11Cl2N3

Suppliers	Catalog Number
Enamine	EN300-80655

Database	Data ID
PubChem	54594323

M. W.

196.07764

CAS

Similarity

N/A

ID: 276720

N-[3-(aminomethyl)phenyl]-4-chlorobenzene-1-sulfonamide

$$$$ Data

M. F.

C13H13ClN2O2S

Suppliers	Catalog Number
Enamine	EN300-80656

Database	Data ID
PubChem	54594324

M. W.

296.77252

CAS

Similarity

N/A

ID: 276721

N-[cyclopropyl(2H-1,2,3,4-tetrazol-5-yl)methyl]benzamide

$$$$ Data

M. F.

C12H13N5O

Suppliers	Catalog Number
Enamine	EN300-80657

Database	Data ID
PubChem	54594325

M. W.

243.26452

CAS

Similarity

N/A

ID: 276722

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

$$$$ Data

M. F.

C12H11NO4

Suppliers	Catalog Number
Enamine	EN300-80658

Database	Data ID
PubChem	20064153

M. W.

233.22004

CAS

Similarity

N/A

ID: 276723

4-(hydroxymethyl)-5-(4-methoxyphenyl)-1-methylpyrrolidin-2-one

$$$$ Data

M. F.

C13H17NO3

Suppliers	Catalog Number
Enamine	EN300-80659

Database	Data ID
PubChem	54594326

M. W.

235.27898

CAS

Similarity

N/A

ID: 276724

2-fluoro-4-(hydroxymethyl)phenol

$$$$ Data

M. F.

C7H7FO2

Suppliers	Catalog Number
Enamine	EN300-80660

Database	Data ID
PubChem	11240544

M. W.

142.1276832

CAS

Similarity

N/A

ID: 276725

1-(5-bromo-2-chlorophenyl)pyrrolidin-2-one

$$$$ Data

M. F.

C10H9BrClNO

Suppliers	Catalog Number
Enamine	EN300-80661

Database	Data ID
PubChem	53621859

M. W.

274.54156

CAS

Similarity

N/A

ID: 276726

2,3-dimethylthiomorpholine

$$$$ Data

M. F.

C6H13NS

Suppliers	Catalog Number
Enamine	EN300-80665

Database	Data ID
PubChem	54594327

M. W.

131.23912

CAS

Similarity

N/A

ID: 276727

5-{bicyclo[2.2.1]heptan-2-yl}-1H-pyrazol-3-amine

$$$$ Data

M. F.

C10H15N3

Suppliers	Catalog Number
Enamine	EN300-80666

Database	Data ID
PubChem	54594328

M. W.

177.2462

CAS

Similarity

N/A

ID: 276728

methyl[4-(methylamino)butyl]amine

$$$$ Data

M. F.

C6H16N2

Suppliers	Catalog Number
Enamine	EN300-80667
Bide Pharmatech	BD142149

Database	Data ID
PubChem	85238

M. W.

116.20464

CAS

16011-97-5

Similarity

N/A

ID: 276729

2-benzylcyclopentan-1-one

$$$$ Data

M. F.

C12H14O

Suppliers	Catalog Number
Enamine	EN300-80669

Database	Data ID
PubChem	4647132

M. W.

174.23896

CAS

Similarity

N/A

ID: 276730

5-cyclohexyl-1H-pyrazol-3-amine

$$$$ Data

M. F.

C9H15N3

Suppliers	Catalog Number
Enamine	EN300-80670
Bide Pharmatech	BD225428

Database	Data ID
PubChem	12831625

M. W.

165.2355

CAS

81542-54-3

Similarity

N/A

ID: 276731

5-cycloheptyl-1H-pyrazol-3-amine

$$$$ Data

M. F.

C10H17N3

Suppliers	Catalog Number
Enamine	EN300-80672

Database	Data ID
PubChem	54594329

M. W.

179.26208

CAS

Similarity

N/A

ID: 276732

3-bromo-N-(2-butoxyethyl)aniline

$$$$ Data

M. F.

C12H18BrNO

Suppliers	Catalog Number
Enamine	EN300-80673

Database	Data ID
PubChem	54594330

M. W.

272.18142

CAS

Similarity

N/A

ID: 276733

1-(4-benzylmorpholin-2-yl)ethan-1-one

$$$$ Data

M. F.

C13H17NO2

Suppliers	Catalog Number
Enamine	EN300-80674

Database	Data ID
PubChem	54594331

M. W.

219.27958

CAS

Similarity

N/A

ID: 276734

4-bromo-N-(2-butoxyethyl)aniline

$$$$ Data

M. F.

C12H18BrNO

Suppliers	Catalog Number
Enamine	EN300-80675

Database	Data ID
PubChem	54594332

M. W.

272.18142

CAS

Similarity

N/A

ID: 276735

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

$$$$ Data

M. F.

C11H13N3

Suppliers	Catalog Number
Enamine	EN300-80676

Database	Data ID
PubChem	56828018

M. W.

187.24102

CAS

Similarity

N/A

ID: 276736

2-methyl-1-(pyridin-2-yl)propan-1-amine

$$$$ Data

M. F.

C9H14N2

Suppliers	Catalog Number
ChemBridge	4025879
Enamine	EN300-80679

Database	Data ID
PubChem	22414199

M. W.

150.22086

CAS

58088-72-5

Similarity

N/A

ID: 276737

N-[2-(benzylamino)ethyl]acetamide

$$$$ Data

M. F.

C11H16N2O

Suppliers	Catalog Number
Enamine	EN300-80681

Database	Data ID
PubChem	14464647

M. W.

192.25754

CAS

Similarity

N/A

ID: 276738

1-(4-fluorophenyl)but-3-en-1-one

$$$$ Data

M. F.

C10H9FO

Suppliers	Catalog Number
Enamine	EN300-80682

Database	Data ID
PubChem	54594333

M. W.

164.1762632

CAS

Similarity

N/A

ID: 276739

3-[(4-cyanophenyl)amino]benzoic acid

$$$$ Data

M. F.

C14H10N2O2

Suppliers	Catalog Number
Enamine	EN300-80685

Database	Data ID
PubChem	43358929

M. W.

238.2414

CAS

Similarity

N/A

ID: 276740

2-(chloromethyl)-6-methylpyridine hydrochloride

$$$$ Data

M. F.

C7H9Cl2N

Suppliers	Catalog Number
ChemBridge	4087831
Enamine	EN300-80687

Database	Data ID
PubChem	76545

M. W.

178.05906

CAS

Similarity

N/A

ID: 276741

1H,2H,3H-pyrrolo[3,2-c]pyridine hydrochloride

$$$$ Data

M. F.

C7H9ClN2

Suppliers	Catalog Number
Enamine	EN300-80688

Database	Data ID
PubChem	54594334

M. W.

156.61276

CAS

Similarity

N/A

ID: 276742

3,5-difluoro-2-nitrobenzonitrile

$$$$ Data

M. F.

C7H2F2N2O2

Suppliers	Catalog Number
Enamine	EN300-80689

Database	Data ID
PubChem	54594335

M. W.

184.0997864

CAS

Similarity

N/A

ID: 276743

6-tert-butylpyridazin-3-amine

$$$$ Data

M. F.

C8H13N3

Suppliers	Catalog Number
Enamine	EN300-80691

Database	Data ID
PubChem	13755288

M. W.

151.20892

CAS

Similarity

N/A

ID: 276744

3-[(4-fluorophenyl)methyl]pyrrolidine

$$$$ Data

M. F.

C11H14FN

Suppliers	Catalog Number
Enamine	EN300-80693
A&J Pharmtech	AJA-O30098

Database	Data ID
PubChem	3685049

M. W.

179.2339632

CAS

193220-17-6

Similarity

N/A

ID: 276745

[4-(dimethylamino)butyl](methyl)amine

$$$$ Data

M. F.

C7H18N2

Suppliers	Catalog Number
Enamine	EN300-80694

Database	Data ID
PubChem	10419213

M. W.

130.23122

CAS

Similarity

N/A

ID: 276746

methyl[(4-methyl-1,3-thiazol-2-yl)methyl]amine

$$$$ Data

M. F.

C6H10N2S

Suppliers	Catalog Number
ChemBridge	4101071
Enamine	EN300-80695

Database	Data ID
PubChem	3928654

M. W.

142.222

CAS

644950-37-8

Similarity

N/A

ID: 276747

N-(2-bromophenyl)-2-nitrobenzamide

$$$$ Data

M. F.

C13H9BrN2O3

Suppliers	Catalog Number
Enamine	EN300-80698

Database	Data ID
PubChem	792337

M. W.

321.12616

CAS

Similarity

N/A

ID: 276748

(2-methyl-1-phenyl-1H-imidazol-5-yl)methanol

$$$$ Data

M. F.

C11H12N2O

Suppliers	Catalog Number
Enamine	EN300-80720

Database	Data ID
PubChem	54594336

M. W.

188.22578

CAS

Similarity

N/A

ID: 276749

ethyl 2-amino-5-bromo-3-chlorobenzoate

$$$$ Data

M. F.

C9H9BrClNO2

Suppliers	Catalog Number
Enamine	EN300-80721

Database	Data ID
PubChem	54594337

M. W.

278.53026

CAS

Similarity

N/A

ID: 276750

1,3,4-trimethyl-4,5-dihydro-1H-pyrazol-5-one

$$$$ Data

M. F.

C6H10N2O

Suppliers	Catalog Number
Enamine	EN300-80723

Database	Data ID
PubChem	580964

M. W.

126.1564

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