Chembase list of 866358 unique molecular structures

2-(2-chlorophenyl)-1,3-oxazole-4-carbaldehyde

$$$$

M. F.

C10H6ClNO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O29997

Database

Data ID

M. W.

207.61314

CAS

885274-43-1

Similarity

N/A

ID: 811002

2-(3-methyl-4-nitrophenyl)-1,3-oxazole-4-carbaldehyde

$$$$

M. F.

C11H8N2O4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O29998

Database

Data ID

M. W.

232.19222

CAS

885274-46-4

Similarity

N/A

ID: 811003

[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methanol

$$$$

M. F.

C10H8ClNO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O29999

Database

Data ID

M. W.

209.62902

CAS

885274-49-7

Similarity

N/A

ID: 811004

4-(bromomethyl)-2-(2-chlorophenyl)-1,3-oxazole

$$$$

M. F.

C10H7BrClNO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30000

Database

Data ID

M. W.

272.52568

CAS

Similarity

N/A

ID: 811005

[2-(2-fluorophenyl)-1,3-oxazol-4-yl]methanol

$$$$

M. F.

C10H8FNO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30001

Database

Data ID

M. W.

193.1744232

CAS

885274-00-0

Similarity

N/A

ID: 811006

4-(bromomethyl)-2-(2-fluorophenyl)-1,3-oxazole

$$$$

M. F.

C10H7BrFNO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30002

Database

Data ID

M. W.

256.0710832

CAS

Similarity

N/A

ID: 811007

[2-(2-bromophenyl)-1,3-oxazol-4-yl]methanol

$$$$

M. F.

C10H8BrNO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30003

Database

Data ID

M. W.

254.08002

CAS

885274-02-2

Similarity

N/A

ID: 811008

4-(bromomethyl)-2-(2-bromophenyl)-1,3-oxazole

$$$$

M. F.

C10H7Br2NO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30004

Database

Data ID

M. W.

316.97668

CAS

Similarity

N/A

ID: 811009

[2-(2-methoxyphenyl)-1,3-oxazol-4-yl]methanol

$$$$

M. F.

C11H11NO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30006

Database

Data ID

M. W.

205.20994

CAS

885273-96-1

Similarity

N/A

ID: 811010

4-(bromomethyl)-2-(2-methoxyphenyl)-1,3-oxazole

$$$$

M. F.

C11H10BrNO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30007

Database

Data ID

M. W.

268.1066

CAS

Similarity

N/A

ID: 811011

(2-amino-4-bromophenyl)boronic acid

$$$$

M. F.

C6H7BBrNO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30008

Database

Data ID

M. W.

215.84028

CAS

Similarity

N/A

ID: 811012

pyrimidine-5-carboximidamide

$$$$

M. F.

C5H6N4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30009

Database

Data ID

M. W.

122.12794

CAS

690619-43-3

Similarity

N/A

ID: 811013

3,4-dihydro-2H-1,4-benzoxazine-3-carboxylic acid

$$$$

M. F.

C9H9NO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30011

Database

Data ID

M. W.

179.17266

CAS

1260643-24-0

Similarity

N/A

ID: 811014

3-phenyl-1-(pyrazin-2-yl)propan-1-amine

$$$$

M. F.

C13H15N3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30012

Database

Data ID

M. W.

213.2783

CAS

885275-26-3

Similarity

N/A

ID: 811015

ethyl 6-hydroxy-1,2,3,4-tetrahydroquinoline-2-carboxylate

$$$$

M. F.

C12H15NO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30013

Database

Data ID

M. W.

221.2524

CAS

Similarity

N/A

ID: 811016

2-(pyridin-4-yl)-1,3-thiazol-4-amine

$$$$

M. F.

C8H7N3S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30016

Database

Data ID

M. W.

177.22628

CAS

89401-67-2

Similarity

N/A

ID: 811017

1-(pyrazin-2-yl)butan-1-amine

$$$$

M. F.

C8H13N3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30020

Database

Data ID

M. W.

151.20892

CAS

885275-28-5

Similarity

N/A

ID: 811018

ethyl 5-(3-bromophenyl)-1,3-oxazole-4-carboxylate

$$$$

M. F.

C12H10BrNO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30021

Database

Data ID

M. W.

296.1167

CAS

885274-09-9

Similarity

N/A

ID: 811019

3-phenyl-1-(quinoxalin-2-yl)propan-1-amine

$$$$

M. F.

C17H17N3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30022

Database

Data ID

M. W.

263.33698

CAS

885275-30-9

Similarity

N/A

ID: 811020

1,3-oxazinane-2,6-dione

$$$$

M. F.

C4H5NO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30024

Database

Data ID

M. W.

115.0874

CAS

5638-70-0

Similarity

N/A

ID: 811021

3-amino-7-chloro-1,2,3,4-tetrahydroquinolin-2-one

$$$$

M. F.

C9H9ClN2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30026

Database

Data ID

M. W.

196.63356

CAS

56433-13-7

Similarity

N/A

ID: 811022

methyl (3R)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate

$$$$

M. F.

C11H13NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30028

Database

Data ID

M. W.

191.22642

CAS

191327-28-3

Similarity

N/A

ID: 811023

tert-butyl 3-formyl-1,2,3,4-tetrahydroisoquinoline-2-carboxylate

$$$$

M. F.

C15H19NO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30029

Database

Data ID

M. W.

261.31626

CAS

104668-15-7

Similarity

N/A

ID: 811024

tert-butyl (3R)-3-formyl-1,2,3,4-tetrahydroisoquinoline-2-carboxylate

$$$$

M. F.

C15H19NO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30030

Database

Data ID

M. W.

261.31626

CAS

444583-19-1

Similarity

N/A

ID: 811025

tert-butyl (3S)-3-formyl-1,2,3,4-tetrahydroisoquinoline-2-carboxylate

$$$$

M. F.

C15H19NO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30031

Database

Data ID

M. W.

261.31626

CAS

145525-27-5

Similarity

N/A

ID: 811026

tert-butyl N-[2-(aminomethyl)-3-fluoroprop-2-en-1-yl]carbamate

$$$$

M. F.

C9H17FN2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30032

Database

Data ID

M. W.

204.2418832

CAS

Similarity

N/A

ID: 811027

2-amino-6-methylpyridine-3-carbaldehyde

$$$$

M. F.

C7H8N2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30034

Database

Data ID

M. W.

136.15122

CAS

885276-99-3

Similarity

N/A

ID: 811028

tert-butyl 3-(2-oxoethyl)morpholine-4-carboxylate

$$$$

M. F.

C11H19NO4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30036

Database

Data ID

M. W.

229.27286

CAS

886365-55-5

Similarity

N/A

ID: 811029

tert-butyl 3-(cyanomethyl)morpholine-4-carboxylate

$$$$

M. F.

C11H18N2O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30037

Database

Data ID

M. W.

226.27222

CAS

886365-51-1

Similarity

N/A

ID: 811030

tert-butyl 2-(cyanomethyl)morpholine-4-carboxylate

$$$$

M. F.

C11H18N2O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30038

Database

Data ID

M. W.

226.27222

CAS

259180-69-3

Similarity

N/A

ID: 811031

piperidin-3-one

$$$$

M. F.

C5H9NO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30041

Database

Data ID

M. W.

99.13106

CAS

50717-82-3

Similarity

N/A

ID: 811032

methyl 2-methyl-1,3-oxazole-5-carboxylate

$$$$

M. F.

C6H7NO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30042

Database

Data ID

M. W.

141.12468

CAS

651059-70-0

Similarity

N/A

ID: 811033

2-methyl-1,3-oxazole-5-carbaldehyde

$$$$

M. F.

C5H5NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30043

Database

Data ID

M. W.

111.0987

CAS

153138-05-7

Similarity

N/A

ID: 811034

3-phenyl-1-(quinoxalin-2-yl)propan-1-one

$$$$

M. F.

C17H14N2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30047

Database

Data ID

M. W.

262.30586

CAS

885275-42-3

Similarity

N/A

ID: 811035

2-(quinolin-4-ylsulfanyl)acetohydrazide

$$$$

M. F.

C11H11N3OS

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30048

Database

Data ID

M. W.

233.28954

CAS

885278-19-3

Similarity

N/A

ID: 811036

ethyl 3-(2-aminophenyl)-5-methylbenzoate

$$$$

M. F.

C16H17NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30049

Database

Data ID

M. W.

255.31168

CAS

Similarity

N/A

ID: 811037

2-(4-nitrophenyl)acetaldehyde

$$$$

M. F.

C8H7NO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30050

Database

Data ID

M. W.

165.14608

CAS

1460-05-5

Similarity

N/A

ID: 811038

2-(4-aminophenyl)acetaldehyde

$$$$

M. F.

C8H9NO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30051

Database

Data ID

M. W.

135.16316

CAS

204838-36-8

Similarity

N/A

ID: 811039

methyl 4-(2-aminophenyl)-2-methylbenzoate

$$$$

M. F.

C15H15NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30052

Database

Data ID

M. W.

241.2851

CAS

885278-08-0

Similarity

N/A

ID: 811040

2-(5-methylpyridin-2-yl)aniline

$$$$

M. F.

C12H12N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30054

Database

Data ID

M. W.

184.23708

CAS

885277-33-8

Similarity

N/A

ID: 811041

methyl 6-(2-aminophenyl)pyridine-3-carboxylate

$$$$

M. F.

C13H12N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30055

Database

Data ID

M. W.

228.24658

CAS

885277-03-2

Similarity

N/A

ID: 811042

2-(3-methyl-4-nitrophenyl)aniline

$$$$

M. F.

C13H12N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30056

Database

Data ID

M. W.

228.24658

CAS

885280-87-5

Similarity

N/A

ID: 811043

ethyl 6-(2-aminophenyl)pyridine-2-carboxylate

$$$$

M. F.

C14H14N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30057

Database

Data ID

M. W.

242.27316

CAS

Similarity

N/A

ID: 811044

2-(5-fluoropyridin-2-yl)aniline

$$$$

M. F.

C11H9FN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30058

Database

Data ID

M. W.

188.2009632

CAS

885277-17-8

Similarity

N/A

ID: 811045

2-(5-chloropyridin-2-yl)aniline

$$$$

M. F.

C11H9ClN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30059

Database

Data ID

M. W.

204.65556

CAS

885277-20-3

Similarity

N/A

ID: 811046

2-(6-methylpyridin-2-yl)aniline

$$$$

M. F.

C12H12N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30060

Database

Data ID

M. W.

184.23708

CAS

305811-31-8

Similarity

N/A

ID: 811047

tert-butyl (2S)-2-formylpiperidine-1-carboxylate

$$$$

M. F.

C11H19NO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30061

Database

Data ID

M. W.

213.27346

CAS

150521-32-7

Similarity

N/A

ID: 811048

4-[2-(methylamino)ethyl]aniline

$$$$

M. F.

C9H14N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30063

Database

Data ID

M. W.

150.22086

CAS

32868-32-9

Similarity

N/A

ID: 811049

2-(3-nitrophenyl)acetaldehyde

$$$$

M. F.

C8H7NO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30067

Database

Data ID

M. W.

165.14608

CAS

66146-33-6

Similarity

N/A

ID: 811050

[2-(3-chlorophenyl)ethyl](methyl)amine

$$$$

M. F.

C9H12ClN

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30068

Database

Data ID

M. W.

169.65128

CAS

52516-20-8

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