Chembase list of 866358 unique molecular structures

methyl[1-(oxan-4-yl)-2-(pyrrolidin-1-yl)ethyl]amine

$$$$

M. F.

C12H24N2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14895

Database

Data ID

M. W.

212.33176

CAS

Similarity

N/A

ID: 799852

N-methyl-1-[(pyrrolidin-1-yl)methyl]cyclohexan-1-amine

$$$$

M. F.

C12H24N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14896

Database

Data ID

M. W.

196.33236

CAS

Similarity

N/A

ID: 799853

methyl[(1S)-1-phenyl-2-(pyrrolidin-1-yl)ethyl]amine dihydrochloride

$$$$

M. F.

C13H22Cl2N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14897

Database

Data ID

M. W.

277.23318

CAS

Similarity

N/A

ID: 799854

methyl[1-phenyl-3-(pyrrolidin-1-yl)propyl]amine

$$$$

M. F.

C14H22N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14898

Database

Data ID

M. W.

218.33788

CAS

Similarity

N/A

ID: 799855

methyl[(2S)-1-phenyl-3-(pyrrolidin-1-yl)propan-2-yl]amine

$$$$

M. F.

C14H22N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14899

Database

Data ID

M. W.

218.33788

CAS

Similarity

N/A

ID: 799856

benzyl 4-methyl-2-[(pyrrolidin-1-yl)methyl]piperazine-1-carboxylate

$$$$

M. F.

C18H27N3O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14900

Database

Data ID

M. W.

317.42588

CAS

Similarity

N/A

ID: 799857

N-methyl-1-[(pyrrolidin-1-yl)methyl]-2,3-dihydro-1H-inden-1-amine

$$$$

M. F.

C15H22N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14901

Database

Data ID

M. W.

230.34858

CAS

Similarity

N/A

ID: 799858

benzyl N-methyl-N-[(2S)-1-(pyrrolidin-1-yl)propan-2-yl]carbamate

$$$$

M. F.

C16H24N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14904

Database

Data ID

M. W.

276.37396

CAS

Similarity

N/A

ID: 799859

benzyl N-methyl-N-[(2S,3S)-3-methyl-1-(pyrrolidin-1-yl)pentan-2-yl]carbamate

$$$$

M. F.

C19H30N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14905

Database

Data ID

M. W.

318.4537

CAS

Similarity

N/A

ID: 799860

5-(piperidin-3-yl)-2,3-dihydro-1,3,4-oxadiazol-2-one hydrochloride

$$$$

M. F.

C7H12ClN3O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14907

Database

Data ID

M. W.

205.64208

CAS

1046079-37-1

Similarity

N/A

ID: 799861

5-(pyrrolidin-2-yl)-2,3-dihydro-1,3,4-oxadiazol-2-one hydrochloride

$$$$

M. F.

C6H10ClN3O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14908

Database

Data ID

M. W.

191.6155

CAS

1211596-25-6

Similarity

N/A

ID: 799862

5-(aminomethyl)-2,3-dihydro-1,3,4-oxadiazol-2-one hydrochloride

$$$$

M. F.

C3H6ClN3O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14909

Database

Data ID

M. W.

151.55164

CAS

1046079-40-6

Similarity

N/A

ID: 799863

5-[(methylamino)methyl]-2,3-dihydro-1,3,4-oxadiazol-2-one hydrochloride

$$$$

M. F.

C4H8ClN3O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14910

Database

Data ID

M. W.

165.57822

CAS

1046079-42-8

Similarity

N/A

ID: 799864

5-(1-aminoethyl)-2,3-dihydro-1,3,4-oxadiazol-2-one hydrochloride

$$$$

M. F.

C4H8ClN3O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14911

Database

Data ID

M. W.

165.57822

CAS

1211595-56-0

Similarity

N/A

ID: 799865

5-(2-aminoethyl)-2,3-dihydro-1,3,4-oxadiazol-2-one hydrochloride

$$$$

M. F.

C4H8ClN3O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14912

Database

Data ID

M. W.

165.57822

CAS

1046079-46-2

Similarity

N/A

ID: 799866

5-(piperidin-4-yl)-2,3-dihydro-1,3,4-oxadiazole-2-thione hydrochloride

$$$$

M. F.

C7H12ClN3OS

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14913

Database

Data ID

M. W.

221.70768

CAS

1046079-48-4

Similarity

N/A

ID: 799867

5-(piperidin-3-yl)-2,3-dihydro-1,3,4-oxadiazole-2-thione hydrochloride

$$$$

M. F.

C7H12ClN3OS

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14914

Database

Data ID

M. W.

221.70768

CAS

1046079-50-8

Similarity

N/A

ID: 799868

5-(pyrrolidin-2-yl)-2,3-dihydro-1,3,4-oxadiazole-2-thione hydrochloride

$$$$

M. F.

C6H10ClN3OS

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14915

Database

Data ID

M. W.

207.6811

CAS

1211596-84-7

Similarity

N/A

ID: 799869

5-(aminomethyl)-2,3-dihydro-1,3,4-oxadiazole-2-thione hydrochloride

$$$$

M. F.

C3H6ClN3OS

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14916

Database

Data ID

M. W.

167.61724

CAS

1046079-55-3

Similarity

N/A

ID: 799870

5-[(methylamino)methyl]-2,3-dihydro-1,3,4-oxadiazole-2-thione hydrochloride

$$$$

M. F.

C4H8ClN3OS

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14917

Database

Data ID

M. W.

181.64382

CAS

1046079-57-5

Similarity

N/A

ID: 799871

5-(1-aminoethyl)-2,3-dihydro-1,3,4-oxadiazole-2-thione hydrochloride

$$$$

M. F.

C4H8ClN3OS

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14918

Database

Data ID

M. W.

181.64382

CAS

1211594-85-2

Similarity

N/A

ID: 799872

5-(2-aminoethyl)-2,3-dihydro-1,3,4-oxadiazole-2-thione hydrochloride

$$$$

M. F.

C4H8ClN3OS

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14919

Database

Data ID

M. W.

181.64382

CAS

139601-75-5

Similarity

N/A

ID: 799873

5-(1-methylpiperidin-4-yl)-2,3-dihydro-1,3,4-oxadiazole-2-thione hydrochloride

$$$$

M. F.

C8H14ClN3OS

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14920

Database

Data ID

M. W.

235.73426

CAS

1211595-97-9

Similarity

N/A

ID: 799874

5-(1-methylpiperidin-4-yl)-2,3-dihydro-1,3,4-oxadiazol-2-one hydrochloride

$$$$

M. F.

C8H14ClN3O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14921

Database

Data ID

M. W.

219.66866

CAS

1046079-66-6

Similarity

N/A

ID: 799875

5-(1-benzylpiperidin-4-yl)-2,3-dihydro-1,3,4-oxadiazol-2-one hydrochloride

$$$$

M. F.

C14H18ClN3O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14922

Database

Data ID

M. W.

295.76462

CAS

1046079-68-8

Similarity

N/A

ID: 799876

5-(1-benzylpiperidin-4-yl)-2,3-dihydro-1,3,4-oxadiazole-2-thione hydrochloride

$$$$

M. F.

C14H18ClN3OS

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14923

Database

Data ID

M. W.

311.83022

CAS

1211592-81-2

Similarity

N/A

ID: 799877

5-cyclohexyl-2,3-dihydro-1,3,4-oxadiazole-2-thione

$$$$

M. F.

C8H12N2OS

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14924

Database

Data ID

M. W.

184.25868

CAS

173589-87-2

Similarity

N/A

ID: 799878

5-cyclohexyl-2,3-dihydro-1,3,4-oxadiazol-2-one

$$$$

M. F.

C8H12N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14925

Database

Data ID

M. W.

168.19308

CAS

83925-65-9

Similarity

N/A

ID: 799879

5-methyl-2,3-dihydro-1,3,4-oxadiazole-2-thione

$$$$

M. F.

C3H4N2OS

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14927

Database

Data ID

M. W.

116.14166

CAS

31130-17-3

Similarity

N/A

ID: 799880

5-[(dimethylamino)methyl]-2,3-dihydro-1,3,4-oxadiazole-2-thione

$$$$

M. F.

C5H9N3OS

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14928

Database

Data ID

M. W.

159.20946

CAS

33083-43-1

Similarity

N/A

ID: 799881

5-[(dimethylamino)methyl]-2,3-dihydro-1,3,4-oxadiazol-2-one

$$$$

M. F.

C5H9N3O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14929

Database

Data ID

M. W.

143.14386

CAS

1046079-70-2

Similarity

N/A

ID: 799882

1-benzyl-4-(1,3,4-oxadiazol-2-yl)piperidine

$$$$

M. F.

C14H17N3O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14930

Database

Data ID

M. W.

243.30428

CAS

1046079-80-4

Similarity

N/A

ID: 799883

4-benzyl-3-(piperidin-4-yl)-4,5-dihydro-1H-1,2,4-triazol-5-one hydrochloride

$$$$

M. F.

C14H19ClN4O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14931

Database

Data ID

M. W.

294.77986

CAS

1046079-96-2

Similarity

N/A

ID: 799884

4-benzyl-3-(piperidin-4-yl)-4,5-dihydro-1H-1,2,4-triazole-5-thione hydrochloride

$$$$

M. F.

C14H19ClN4S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14932

Database

Data ID

M. W.

310.84546

CAS

1046080-00-5

Similarity

N/A

ID: 799885

3-(aminomethyl)-4-benzyl-4,5-dihydro-1H-1,2,4-triazole-5-thione hydrochloride

$$$$

M. F.

C10H13ClN4S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14933

Database

Data ID

M. W.

256.75502

CAS

1211594-90-9

Similarity

N/A

ID: 799886

3-(aminomethyl)-4-benzyl-4,5-dihydro-1H-1,2,4-triazol-5-one

$$$$

M. F.

C10H12N4O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14934

Database

Data ID

M. W.

204.22848

CAS

1046079-98-4

Similarity

N/A

ID: 799887

4-methyl-1H-pyrazol-1-ol

$$$$

M. F.

C4H6N2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14935

Database

Data ID

M. W.

98.10324

CAS

145324-75-0

Similarity

N/A

ID: 799888

4-ethyl-1H-pyrazol-1-ol

$$$$

M. F.

C5H8N2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14936

Database

Data ID

M. W.

112.12982

CAS

1211596-43-8

Similarity

N/A

ID: 799889

4-propyl-1H-pyrazol-1-ol

$$$$

M. F.

C6H10N2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14937

Database

Data ID

M. W.

126.1564

CAS

1211596-89-2

Similarity

N/A

ID: 799890

4-(propan-2-yl)-1H-pyrazol-1-ol

$$$$

M. F.

C6H10N2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14938

Database

Data ID

M. W.

126.1564

CAS

1211594-50-1

Similarity

N/A

ID: 799891

4-chloro-1H-pyrazol-1-ol

$$$$

M. F.

C3H3ClN2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14939

Database

Data ID

M. W.

118.52172

CAS

87844-47-1

Similarity

N/A

ID: 799892

2-amino-2-(4-chloro-1-hydroxy-1H-pyrazol-5-yl)acetic acid

$$$$

M. F.

C5H6ClN3O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14940

Database

Data ID

M. W.

191.57244

CAS

1040284-01-2

Similarity

N/A

ID: 799893

2-amino-2-(1-hydroxy-4-methyl-1H-pyrazol-5-yl)acetic acid

$$$$

M. F.

C6H9N3O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14941

Database

Data ID

M. W.

171.15396

CAS

1040283-97-3

Similarity

N/A

ID: 799894

2-amino-2-(4-ethyl-1-hydroxy-1H-pyrazol-5-yl)acetic acid

$$$$

M. F.

C7H11N3O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14942

Database

Data ID

M. W.

185.18054

CAS

1040283-98-4

Similarity

N/A

ID: 799895

2-amino-2-(1-hydroxy-4-propyl-1H-pyrazol-5-yl)acetic acid

$$$$

M. F.

C8H13N3O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14943

Database

Data ID

M. W.

199.20712

CAS

1040283-99-5

Similarity

N/A

ID: 799896

2-amino-2-[1-hydroxy-4-(propan-2-yl)-1H-pyrazol-5-yl]acetic acid

$$$$

M. F.

C8H13N3O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14944

Database

Data ID

M. W.

199.20712

CAS

1040284-00-1

Similarity

N/A

ID: 799897

methyl 3-(6-bromo-2-chloropyridin-3-yl)prop-2-enoate

$$$$

M. F.

C9H7BrClNO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14952

Database

Data ID

M. W.

276.51438

CAS

Similarity

N/A

ID: 799898

N-[(6-bromo-2-chloropyridin-3-yl)methylidene]hydroxylamine

$$$$

M. F.

C6H4BrClN2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14953

Database

Data ID

M. W.

235.46576

CAS

Similarity

N/A

ID: 799899

methyl 3-(5,6-dimethoxypyridin-3-yl)prop-2-enoate

$$$$

M. F.

C11H13NO4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14972

Database

Data ID

M. W.

223.22522

CAS

Similarity

N/A

ID: 799900

(3-methylpyridin-2-yl)methanamine hydrochloride

$$$$

M. F.

C7H11ClN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O15285

Database

Data ID

M. W.

158.62864

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