Chembase list of 866358 unique molecular structures

methyl 13-oxo-12-oxa-2,3,5,7-tetraazatricyclo[7.4.0.0²,⁶]t...

$$$$ Data

M. F.

C10H8N4O4

Suppliers	Catalog Number
Enamine	EN300-37525

Database	Data ID
PubChem	39869793

M. W.

248.19492

CAS

Similarity

N/A

ID: 257052

1-(2-nitrophenyl)-1H-1,2,3,4-tetrazole

$$$$ Data

M. F.

C7H5N5O2

Suppliers	Catalog Number
Enamine	EN300-37527

Database	Data ID
PubChem	914432

M. W.

191.1469

CAS

Similarity

N/A

ID: 257053

(E)-N-{[4-(pyrimidin-2-yloxy)phenyl]methylidene}hydroxylamine

$$$$ Data

M. F.

C11H9N3O2

Suppliers	Catalog Number
Enamine	EN300-37528

Database	Data ID
PubChem	42958608

M. W.

215.20806

CAS

Similarity

N/A

ID: 257054

8-ethyl-octahydro-1H-pyrimido[1,2-a]piperazin-9-one

$$$$ Data

M. F.

C9H17N3O

Suppliers	Catalog Number
Enamine	EN300-37530

Database	Data ID
PubChem	43810678

M. W.

183.25078

CAS

Similarity

N/A

ID: 257055

[4-(azepane-1-carbonyl)phenyl]methanamine hydrochloride

$$$$ Data

M. F.

C14H21ClN2O

Suppliers	Catalog Number
Enamine	EN300-37532

Database	Data ID
PubChem	42933689

M. W.

268.78234

CAS

Similarity

N/A

ID: 257056

2-(2,3-dihydro-1H-indole-1-sulfonyl)ethan-1-amine hydrochloride

$$$$ Data

M. F.

C10H15ClN2O2S

Suppliers	Catalog Number
Enamine	EN300-37533

Database	Data ID
PubChem	42935476

M. W.

262.7563

CAS

Similarity

N/A

ID: 257057

N-(1-benzylpiperidin-4-yl)furan-2-carboxamide

$$$$ Data

M. F.

C17H20N2O2

Suppliers	Catalog Number
Enamine	EN300-37534

Database	Data ID
PubChem	2729534

M. W.

284.3529

CAS

Similarity

N/A

ID: 257058

1,2,3-thiadiazol-4-ylmethanol

$$$$ Data

M. F.

C3H4N2OS

Suppliers	Catalog Number
Enamine	EN300-37535

Database	Data ID
PubChem	14727409

M. W.

116.14166

CAS

Similarity

N/A

ID: 257059

(3-methylbutyl)hydrazine dihydrochloride

$$$$ Data

M. F.

C5H16Cl2N2

Suppliers	Catalog Number
Enamine	EN300-37536

Database	Data ID
PubChem	19771531

M. W.

175.09994

CAS

Similarity

N/A

ID: 257060

N-{4-[(1,1-dioxo-1λ⁶-thiolan-3-yl)sulfamoyl]phenyl}acetamide

$$$$ Data

M. F.

C12H16N2O5S2

Suppliers	Catalog Number
Enamine	EN300-37537

Database	Data ID
PubChem	2917755

M. W.

332.39584

CAS

Similarity

N/A

ID: 257061

1-butyl-1H-pyrazol-5-amine

$$$$ Data

M. F.

C7H13N3

Suppliers	Catalog Number
ChemBridge	4014297
Enamine	EN300-37540

Database	Data ID
PubChem	642216

M. W.

139.19822

CAS

3524-17-2

Similarity

N/A

ID: 257062

(E)-N-{[4-(pyridin-3-ylmethoxy)phenyl]methylidene}hydroxylamine

$$$$ Data

M. F.

C13H12N2O2

Suppliers	Catalog Number
Enamine	EN300-37541

Database	Data ID
PubChem	42958607

M. W.

228.24658

CAS

Similarity

N/A

ID: 257063

4-(aminomethyl)-N,N-dipropylbenzamide

$$$$ Data

M. F.

C14H22N2O

Suppliers	Catalog Number
Enamine	EN300-37542

Database	Data ID
PubChem	16769080

M. W.

234.33728

CAS

Similarity

N/A

ID: 257064

3-(2,6-difluorophenyl)propanoic acid

$$$$ Data

M. F.

C9H8F2O2

Suppliers	Catalog Number
Enamine	EN300-37543

Database	Data ID
PubChem	18405375

M. W.

186.1554264

CAS

Similarity

N/A

ID: 257065

N-[(3-methoxyphenyl)methyl]-1H-imidazole-1-carboxamide

$$$$ Data

M. F.

C12H13N3O2

Suppliers	Catalog Number
Enamine	EN300-37544

Database	Data ID
PubChem	39869808

M. W.

231.25052

CAS

Similarity

N/A

ID: 257066

N-(2-phenylethyl)-1H-imidazole-1-carboxamide

$$$$ Data

M. F.

C12H13N3O

Suppliers	Catalog Number
Enamine	EN300-37545

Database	Data ID
PubChem	10751166

M. W.

215.25112

CAS

Similarity

N/A

ID: 257067

N-[(3,4-dimethoxyphenyl)methyl]-1H-imidazole-1-carboxamide

$$$$ Data

M. F.

C13H15N3O3

Suppliers	Catalog Number
Enamine	EN300-37546

Database	Data ID
PubChem	39869810

M. W.

261.2765

CAS

Similarity

N/A

ID: 257068

N-[(4-fluorophenyl)methyl]-1H-imidazole-1-carboxamide

$$$$ Data

M. F.

C11H10FN3O

Suppliers	Catalog Number
Enamine	EN300-37547

Database	Data ID
PubChem	39869812

M. W.

219.2150032

CAS

Similarity

N/A

ID: 257069

1-(4-bromophenyl)-5-(difluoromethyl)-1H-pyrazole-4-carboxylic acid

$$$$ Data

M. F.

C11H7BrF2N2O2

Suppliers	Catalog Number
Enamine	EN300-37548

Database	Data ID
PubChem	39869815

M. W.

317.0862864

CAS

Similarity

N/A

ID: 257070

6-methanesulfonyl-1,2,3,4-tetrahydroquinoline

$$$$ Data

M. F.

C10H13NO2S

Suppliers	Catalog Number
Enamine	EN300-37551

Database	Data ID
PubChem	24690906

M. W.

211.28072

CAS

Similarity

N/A

ID: 257071

potassium 3-(pyrrolidin-1-yl)propanoate

$$$$ Data

M. F.

C7H12KNO2

Suppliers	Catalog Number
Enamine	EN300-37552

Database	Data ID
PubChem	42959080

M. W.

181.27398

CAS

Similarity

N/A

ID: 257072

5-amino-2-chloro-N,N-dimethylbenzamide

$$$$ Data

M. F.

C9H11ClN2O

Suppliers	Catalog Number
ChemBridge	4031471
Enamine	EN300-37553

Database	Data ID
PubChem	16794370

M. W.

198.64944

CAS

946691-01-6

Similarity

N/A

ID: 257073

2-phenyl-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine dihydrochloride

$$$$ Data

M. F.

C13H15Cl2N3

Suppliers	Catalog Number
Enamine	EN300-37556

Database	Data ID
PubChem	42940681

M. W.

284.1843

CAS

Similarity

N/A

ID: 257074

(E)-N'-hydroxy-3,4-dimethoxybenzene-1-carboximidamide

$$$$ Data

M. F.

C9H12N2O3

Suppliers	Catalog Number
Enamine	EN300-37557

Database	Data ID
PubChem	6235457

M. W.

196.20318

CAS

40312-16-1

Similarity

N/A

ID: 257075

4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-2-amine

$$$$ Data

M. F.

C6H9N3S

Suppliers	Catalog Number
ChemBridge	4040087
Enamine	EN300-37561

Database	Data ID
PubChem	13519687

M. W.

155.22076

CAS

97817-23-7

Similarity

N/A

ID: 257076

2-(4-fluorophenyl)-1-(piperazin-1-yl)ethan-1-one

$$$$ Data

M. F.

C12H15FN2O

Suppliers	Catalog Number
Enamine	EN300-37564

Database	Data ID
PubChem	16792476

M. W.

222.2587032

CAS

Similarity

N/A

ID: 257077

2-[(pyridin-3-ylmethyl)sulfanyl]acetic acid

$$$$ Data

M. F.

C8H9NO2S

Suppliers	Catalog Number
Enamine	EN300-37565

Database	Data ID
PubChem	16228520

M. W.

183.22756

CAS

Similarity

N/A

ID: 257078

7-hydroxy-1,4-dihydroquinolin-4-one

$$$$ Data

M. F.

C9H7NO2

Suppliers	Catalog Number
Enamine	EN300-37566

Database	Data ID
PubChem	39869818

M. W.

161.15738

CAS

Similarity

N/A

ID: 257079

2-[(5-aminopyridin-2-yl)oxy]benzonitrile

$$$$ Data

M. F.

C12H9N3O

Suppliers	Catalog Number
Enamine	EN300-37570

Database	Data ID
PubChem	20112730

M. W.

211.21936

CAS

Similarity

N/A

ID: 257080

2-(4-methoxyphenoxy)pyridin-3-amine

$$$$ Data

M. F.

C12H12N2O2

Suppliers	Catalog Number
Enamine	EN300-37571

Database	Data ID
PubChem	2728288

M. W.

216.23588

CAS

Similarity

N/A

ID: 257081

4-[(5-aminopyridin-2-yl)oxy]benzonitrile

$$$$ Data

M. F.

C12H9N3O

Suppliers	Catalog Number
Enamine	EN300-37572

Database	Data ID
PubChem	15924204

M. W.

211.21936

CAS

Similarity

N/A

ID: 257082

2-hydroxy-1-(4-methylpiperidin-1-yl)ethan-1-one

$$$$ Data

M. F.

C8H15NO2

Suppliers	Catalog Number
Enamine	EN300-37573

Database	Data ID
PubChem	16769494

M. W.

157.2102

CAS

Similarity

N/A

ID: 257083

1,5-dinitro-2,4-bis(propan-2-yl)benzene

$$$$ Data

M. F.

C12H16N2O4

Suppliers	Catalog Number
Enamine	EN300-37574

Database	Data ID
PubChem	12702127

M. W.

252.26644

CAS

77256-78-1

Similarity

N/A

ID: 257084

2-(2-methyl-1H-imidazol-1-yl)pyridine-4-carbonitrile

$$$$ Data

M. F.

C10H8N4

Suppliers	Catalog Number
Enamine	EN300-37575

Database	Data ID
PubChem	24698650

M. W.

184.19732

CAS

Similarity

N/A

ID: 257085

2-(cyclopentyloxy)pyridine-3-carbonitrile

$$$$ Data

M. F.

C11H12N2O

Suppliers	Catalog Number
Alfa Aesar	H52391
Enamine	EN300-37576

Database	Data ID
PubChem	24706636

M. W.

188.22578

CAS

1016805-97-2

Similarity

N/A

ID: 257086

3-(3-fluorophenyl)-2-oxopropanoic acid

$$$$ Data

M. F.

C9H7FO3

Suppliers	Catalog Number
Enamine	EN300-37578

Database	Data ID
PubChem	16783163

M. W.

182.1484832

CAS

Similarity

N/A

ID: 257087

ethyl 2-(chloromethyl)-4-phenylquinoline-3-carboxylate

$$$$ Data

M. F.

C19H16ClNO2

Suppliers	Catalog Number
Enamine	EN300-37581

Database	Data ID
PubChem	2512575

M. W.

325.78884

CAS

Similarity

N/A

ID: 257088

2-chloro-N-[(3-fluorophenyl)methyl]acetamide

$$$$ Data

M. F.

C9H9ClFNO

Suppliers	Catalog Number
Enamine	EN300-37583

Database	Data ID
PubChem	21911739

M. W.

201.6252632

CAS

Similarity

N/A

ID: 257089

2-chloro-N-cyclopropyl-N-(4-methylcyclohexyl)acetamide

$$$$ Data

M. F.

C12H20ClNO

Suppliers	Catalog Number
Enamine	EN300-37680

Database	Data ID
PubChem	50987780

M. W.

229.7463

CAS

Similarity

N/A

ID: 257090

2-chloro-N-[(3-cyanophenyl)methyl]acetamide

$$$$ Data

M. F.

C10H9ClN2O

Suppliers	Catalog Number
Enamine	EN300-37694

Database	Data ID
PubChem	43430876

M. W.

208.64426

CAS

Similarity

N/A

ID: 257091

2-chloro-N-[(4-cyanophenyl)methyl]acetamide

$$$$ Data

M. F.

C10H9ClN2O

Suppliers	Catalog Number
Enamine	EN300-37700

Database	Data ID
PubChem	23575063

M. W.

208.64426

CAS

Similarity

N/A

ID: 257092

2-chloro-N-ethyl-N-[(3-methylphenyl)methyl]acetamide

$$$$ Data

M. F.

C12H16ClNO

Suppliers	Catalog Number
Enamine	EN300-37887

Database	Data ID
PubChem	45791384

M. W.

225.71454

CAS

Similarity

N/A

ID: 257093

2-chloro-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide

$$$$ Data

M. F.

C12H16ClNO2

Suppliers	Catalog Number
Enamine	EN300-37937

Database	Data ID
PubChem	45791385

M. W.

241.71394

CAS

Similarity

N/A

ID: 257094

2-chloro-N-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

$$$$ Data

M. F.

C15H18ClNO

Suppliers	Catalog Number
Enamine	EN300-38104

Database	Data ID
PubChem	71758705

M. W.

263.76252

CAS

Similarity

N/A

ID: 257095

3-amino-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one hydrochloride

$$$$ Data

M. F.

C14H22ClN3O

Suppliers	Catalog Number
Enamine	EN300-38843

Database	Data ID
PubChem	43810679

M. W.

283.79698

CAS

Similarity

N/A

ID: 257096

6-bromoquinoline-8-carboxylic acid

$$$$ Data

M. F.

C10H6BrNO2

Suppliers	Catalog Number
Enamine	EN300-38844

Database	Data ID
PubChem	150121

M. W.

252.06414

CAS

Similarity

N/A

ID: 257097

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

$$$$ Data

M. F.

C12H15N

Suppliers	Catalog Number
Enamine	EN300-38845

Database	Data ID
PubChem	21584178

M. W.

173.2542

CAS

Similarity

N/A

ID: 257098

N-(3-amino-4-chlorophenyl)-2-(2-methoxyethoxy)acetamide

$$$$ Data

M. F.

C11H15ClN2O3

Suppliers	Catalog Number
Enamine	EN300-38846

Database	Data ID
PubChem	20114017

M. W.

258.7014

CAS

Similarity

N/A

ID: 257099

tert-butyl N-(3-aminopropyl)-N-cyclopropylcarbamate

$$$$ Data

M. F.

C11H22N2O2

Suppliers	Catalog Number
Enamine	EN300-38847

Database	Data ID
PubChem	39869822

M. W.

214.30458

CAS

Similarity

N/A

ID: 257100

ethyl 3-methyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylate

$$$$ Data

M. F.

C12H14O4

Suppliers	Catalog Number
Enamine	EN300-38848

Database	Data ID
PubChem	753911

M. W.

222.23716

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