Chembase list of 866358 unique molecular structures

2-(1H-1,2,3,4-tetrazol-1-yl)benzonitrile

$$$$

M. F.

C8H5N5

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20713

Database

Data ID

M. W.

171.1588

CAS

449758-25-2

Similarity

N/A

ID: 803952

5-phenyl-1,3-oxazol-2-ol

$$$$

M. F.

C9H7NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20714

Database

Data ID

M. W.

161.15738

CAS

17107-25-4

Similarity

N/A

ID: 803953

5-methyl-1,3-oxazol-2-ol

$$$$

M. F.

C4H5NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20715

Database

Data ID

M. W.

99.088

CAS

13627-02-6

Similarity

N/A

ID: 803954

5-phenyl-1H-imidazol-2-ol

$$$$

M. F.

C9H8N2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20716

Database

Data ID

M. W.

160.17262

CAS

6794-69-0

Similarity

N/A

ID: 803955

2-chloro-5-phenyl-1H-imidazole

$$$$

M. F.

C9H7ClN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20717

Database

Data ID

M. W.

178.61828

CAS

227313-39-5

Similarity

N/A

ID: 803956

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

$$$$

M. F.

C4H4ClNO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20718

Database

Data ID

M. W.

117.53366

CAS

129053-68-5

Similarity

N/A

ID: 803957

5-phenyl-1,3-thiazol-2-ol

$$$$

M. F.

C9H7NOS

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20719

Database

Data ID

M. W.

177.22298

CAS

83631-55-4

Similarity

N/A

ID: 803958

2-chloro-5-methyl-1H-imidazole

$$$$

M. F.

C4H5ClN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20720

Database

Data ID

M. W.

116.5489

CAS

909086-61-9

Similarity

N/A

ID: 803959

N-(5-methyl-1H-imidazol-2-yl)acetamide

$$$$

M. F.

C6H9N3O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20721

Database

Data ID

M. W.

139.15516

CAS

160041-61-2

Similarity

N/A

ID: 803960

5-methyl-1,3-thiazol-2-ol

$$$$

M. F.

C4H5NOS

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20722

Database

Data ID

M. W.

115.1536

CAS

79307-64-5

Similarity

N/A

ID: 803961

3-amino-5,6-dimethylpyrazine-2-carboxamide

$$$$

M. F.

C7H10N4O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20724

Database

Data ID

M. W.

166.1805

CAS

68884-02-6

Similarity

N/A

ID: 803962

3-amino-5,6-dimethylpyrazine-2-carbonitrile

$$$$

M. F.

C7H8N4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20725

Database

Data ID

M. W.

148.16522

CAS

63352-08-9

Similarity

N/A

ID: 803963

3-bromo-5,6-dimethylpyrazin-2-amine

$$$$

M. F.

C6H8BrN3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20726

Database

Data ID

M. W.

202.05182

CAS

6294-69-5

Similarity

N/A

ID: 803964

6-ethyl-2-hydroxypyridine-3-carbonitrile

$$$$

M. F.

C8H8N2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20727

Database

Data ID

M. W.

148.16192

CAS

4241-20-7

Similarity

N/A

ID: 803965

6-ethyl-2-hydroxypyridine-3-carboxylic acid

$$$$

M. F.

C8H9NO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20728

Database

Data ID

M. W.

167.16196

CAS

179524-36-8

Similarity

N/A

ID: 803966

1-(methoxymethyl)-5-nitro-1,2,3,4-tetrahydropyrimidine-2,4-dione

$$$$

M. F.

C6H7N3O5

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20729

Database

Data ID

M. W.

201.13688

CAS

179523-90-1

Similarity

N/A

ID: 803967

3-(aminomethyl)pyrazin-2-amine

$$$$

M. F.

C5H8N4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20730

Database

Data ID

M. W.

124.14382

CAS

25911-74-4

Similarity

N/A

ID: 803968

5-ethoxy-1-methyl-3-(trichloromethyl)-1H-pyrazole

$$$$

M. F.

C7H9Cl3N2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20731

Database

Data ID

M. W.

243.51816

CAS

639815-75-1

Similarity

N/A

ID: 803969

5-ethoxy-3-(trichloromethyl)-1H-pyrazole

$$$$

M. F.

C6H7Cl3N2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20732

Database

Data ID

M. W.

229.49158

CAS

639815-73-9

Similarity

N/A

ID: 803970

5-ethoxy-1H-pyrazole-3-carboxylic acid

$$$$

M. F.

C6H8N2O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20733

Database

Data ID

M. W.

156.13932

CAS

89831-43-6

Similarity

N/A

ID: 803971

3-ethoxy-5-(trichloromethyl)-4,5-dihydro-1,2-oxazol-5-ol

$$$$

M. F.

C6H8Cl3NO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20734

Database

Data ID

M. W.

248.49162

CAS

639815-70-6

Similarity

N/A

ID: 803972

5-(trichloromethyl)-4,5-dihydro-1,2-oxazole-3,5-diol

$$$$

M. F.

C4H4Cl3NO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20735

Database

Data ID

M. W.

220.43846

CAS

639815-71-7

Similarity

N/A

ID: 803973

3-ethoxy-1-phenyl-5-(trichloromethyl)-1H-pyrazole

$$$$

M. F.

C12H11Cl3N2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20736

Database

Data ID

M. W.

305.58754

CAS

639815-83-1

Similarity

N/A

ID: 803974

5-ethoxy-1-methyl-1H-pyrazole-3-carboxylic acid

$$$$

M. F.

C7H10N2O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20737

Database

Data ID

M. W.

170.1659

CAS

1196157-35-3

Similarity

N/A

ID: 803975

(1-methyl-4-phenyl-1H-imidazol-5-yl)methanol

$$$$

M. F.

C11H12N2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20738

Database

Data ID

M. W.

188.22578

CAS

655253-57-9

Similarity

N/A

ID: 803976

1-methyl-4-phenyl-1H-imidazole-5-carbaldehyde

$$$$

M. F.

C11H10N2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20739

Database

Data ID

M. W.

186.2099

CAS

158585-82-1

Similarity

N/A

ID: 803977

1-methyl-4-phenyl-1H-imidazole-5-carboxylic acid

$$$$

M. F.

C11H10N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20740

Database

Data ID

M. W.

202.2093

CAS

655253-58-0

Similarity

N/A

ID: 803978

1-methyl-4-phenyl-1H-imidazole-5-carbonyl chloride

$$$$

M. F.

C11H9ClN2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20741

Database

Data ID

M. W.

220.65496

CAS

655253-59-1

Similarity

N/A

ID: 803979

6-amino-5-iodopyrimidin-4-ol

$$$$

M. F.

C4H4IN3O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20742

Database

Data ID

M. W.

236.99853

CAS

655253-93-3

Similarity

N/A

ID: 803980

3-chloro-1H-indol-7-amine

$$$$

M. F.

C8H7ClN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20743

Database

Data ID

M. W.

166.60758

CAS

165669-13-6

Similarity

N/A

ID: 803981

3-bromo-1H-indol-7-amine

$$$$

M. F.

C8H7BrN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20744

Database

Data ID

M. W.

211.05858

CAS

1084328-82-4

Similarity

N/A

ID: 803982

7-nitro-1H-indole-3-carbonitrile

$$$$

M. F.

C9H5N3O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20745

Database

Data ID

M. W.

187.1549

CAS

165669-10-3

Similarity

N/A

ID: 803983

N-(3-bromopropyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide

$$$$

M. F.

C8H9BrF3N3O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20746

Database

Data ID

M. W.

300.0757696

CAS

877402-84-1

Similarity

N/A

ID: 803984

N-(2-bromoethyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide

$$$$

M. F.

C7H7BrF3N3O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20747

Database

Data ID

M. W.

286.0491896

CAS

Similarity

N/A

ID: 803985

2-amino-5-(pyridin-2-yl)furan-3-carbonitrile

$$$$

M. F.

C10H7N3O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20748

Database

Data ID

M. W.

185.18208

CAS

1196153-41-9

Similarity

N/A

ID: 803986

2-amino-5-(pyridin-4-yl)furan-3-carbonitrile

$$$$

M. F.

C10H7N3O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20749

Database

Data ID

M. W.

185.18208

CAS

1196153-20-4

Similarity

N/A

ID: 803987

2-chloro-5-methyl-1H-pyrrole-3-carbonitrile

$$$$

M. F.

C6H5ClN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20750

Database

Data ID

M. W.

140.5703

CAS

178050-19-6

Similarity

N/A

ID: 803988

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

$$$$

M. F.

C10H10N2OS

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20751

Database

Data ID

M. W.

206.2642

CAS

1843-19-2

Similarity

N/A

ID: 803989

(3-hydroxy-4-methylphenyl)thiourea

$$$$

M. F.

C8H10N2OS

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20752

Database

Data ID

M. W.

182.2428

CAS

16704-79-3

Similarity

N/A

ID: 803990

2-methyl-5-[(4-methyl-1,3-thiazol-2-yl)amino]phenol

$$$$

M. F.

C11H12N2OS

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20753

Database

Data ID

M. W.

220.29078

CAS

933045-63-7

Similarity

N/A

ID: 803991

(3-hydroxy-4-methoxyphenyl)thiourea

$$$$

M. F.

C8H10N2O2S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20754

Database

Data ID

M. W.

198.2422

CAS

933045-62-6

Similarity

N/A

ID: 803992

2-methoxy-5-[(4-methyl-1,3-thiazol-2-yl)amino]phenol

$$$$

M. F.

C11H12N2O2S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20755

Database

Data ID

M. W.

236.29018

CAS

933045-64-8

Similarity

N/A

ID: 803993

2-amino-3-hydroxy-4-methoxybenzaldehyde

$$$$

M. F.

C8H9NO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20756

Database

Data ID

M. W.

167.16196

CAS

13804-70-1

Similarity

N/A

ID: 803994

5-bromo-1-methyl-3-nitro-1,2-dihydropyridin-2-one

$$$$

M. F.

C6H5BrN2O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20757 AJA-O20758

Database

Data ID

M. W.

233.0195

CAS

153888-45-0

Similarity

N/A

ID: 803995

2-(triethylstannyl)-1,3-oxazole

$$$$

M. F.

C9H17NOSn

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20760

Database

Data ID

M. W.

273.93838

CAS

156780-51-7

Similarity

N/A

ID: 803996

2-bromo-1,3-thiazol-5-amine

$$$$

M. F.

C3H3BrN2S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20762

Database

Data ID

M. W.

179.03832

CAS

1196151-40-2

Similarity

N/A

ID: 803997

1,3-thiazole-2,5-diamine

$$$$

M. F.

C3H5N3S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20763

Database

Data ID

M. W.

115.1569

CAS

95511-80-1

Similarity

N/A

ID: 803998

N-(2-methylpyridin-4-yl)acetamide

$$$$

M. F.

C8H10N2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20764

Database

Data ID

M. W.

150.1778

CAS

18085-47-7

Similarity

N/A

ID: 803999

6-amino-4-methylpyridine-3-carboxylic acid

$$$$

M. F.

C7H8N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20767

Database

Data ID

M. W.

152.15062

CAS

179555-11-4

Similarity

N/A

ID: 804000

3-amino-5-nitropyridin-2-ol

$$$$

M. F.

C5H5N3O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20768

Database

Data ID

M. W.

155.1115

CAS

5667-38-9

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