Chembase list of 866358 unique molecular structures

[2-hydroxy-3-(4-nitrophenoxy)propyl](methyl)amine hydrochloride

$$$$ Data

M. F.

C10H15ClN2O4

Suppliers	Catalog Number
Enamine	EN300-56989

Database	Data ID
PubChem	47002302

M. W.

262.6901

CAS

Similarity

N/A

ID: 264852

2-{4-[(3-chlorophenyl)methyl]piperazin-1-yl}pyridine-3-carboxylic acid

$$$$ Data

M. F.

C17H18ClN3O2

Suppliers	Catalog Number
Enamine	EN300-56992

Database	Data ID
PubChem	45423396

M. W.

331.79672

CAS

Similarity

N/A

ID: 264853

3-bromo-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]benzoic acid

$$$$ Data

M. F.

C12H10BrNO4

Suppliers	Catalog Number
Enamine	EN300-56994

Database	Data ID
PubChem	45304730

M. W.

312.1161

CAS

Similarity

N/A

ID: 264854

3-bromo-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzoic acid

$$$$ Data

M. F.

C12H10BrNO4

Suppliers	Catalog Number
Enamine	EN300-56995

Database	Data ID
PubChem	47002303

M. W.

312.1161

CAS

Similarity

N/A

ID: 264855

5-bromo-2-(2-ethoxyethoxy)benzaldehyde

$$$$ Data

M. F.

C11H13BrO3

Suppliers	Catalog Number
Enamine	EN300-56997

Database	Data ID
PubChem	43386823

M. W.

273.12312

CAS

Similarity

N/A

ID: 264856

3-[2-(4-aminophenyl)ethyl]-1,3-oxazolidin-2-one

$$$$ Data

M. F.

C11H14N2O2

Suppliers	Catalog Number
Enamine	EN300-56999

Database	Data ID
PubChem	10703476

M. W.

206.24106

CAS

Similarity

N/A

ID: 264857

(2E)-3-[5-bromo-2-(2-ethoxyethoxy)phenyl]prop-2-enoic acid

$$$$ Data

M. F.

C13H15BrO4

Suppliers	Catalog Number
Enamine	EN300-57000

Database	Data ID
PubChem	43457298

M. W.

315.1598

CAS

Similarity

N/A

ID: 264858

2-[4-(prop-2-yn-1-yloxy)phenyl]ethan-1-amine hydrochloride

$$$$ Data

M. F.

C11H14ClNO

Suppliers	Catalog Number
Enamine	EN300-57003

Database	Data ID
PubChem	47002304

M. W.

211.68796

CAS

Similarity

N/A

ID: 264859

(2-aminoethyl)(ethyl)methylamine

$$$$ Data

M. F.

C5H14N2

Suppliers	Catalog Number
Enamine	EN300-57007

Database	Data ID
PubChem	14598030

M. W.

102.17806

CAS

Similarity

N/A

ID: 264860

1-[2-chloro-4-(methylsulfanyl)phenyl]ethan-1-one

$$$$ Data

M. F.

C9H9ClOS

Suppliers	Catalog Number
Enamine	EN300-57019

Database	Data ID
PubChem	61794434

M. W.

200.68516

CAS

Similarity

N/A

ID: 264861

N-[4-(aminomethyl)phenyl]-2,2,2-trifluoroacetamide

$$$$ Data

M. F.

C9H9F3N2O

Suppliers	Catalog Number
Enamine	EN300-57038

Database	Data ID
PubChem	47002305

M. W.

218.1757696

CAS

Similarity

N/A

ID: 264862

1-(1,1-dioxo-1λ⁶-thiolan-3-yl)-3-methyl-1H-pyrazolo[3,4-b]pyridine-5...

$$$$ Data

M. F.

C12H13N3O3S

Suppliers	Catalog Number
Enamine	EN300-57069

Database	Data ID
PubChem	47002306

M. W.

279.31492

CAS

Similarity

N/A

ID: 264863

N-(4-amino-2-bromophenyl)-N-methanesulfonylmethanesulfonamide

$$$$ Data

M. F.

C8H11BrN2O4S2

Suppliers	Catalog Number
Enamine	EN300-57070

Database	Data ID
PubChem	47002307

M. W.

343.21794

CAS

Similarity

N/A

ID: 264864

3-methoxypropanamide

$$$$ Data

M. F.

C4H9NO2

Suppliers	Catalog Number
Enamine	EN300-57072

Database	Data ID
PubChem	5252481

M. W.

103.11976

CAS

Similarity

N/A

ID: 264865

4-(pyridin-3-yloxy)benzonitrile hydrochloride

$$$$ Data

M. F.

C12H9ClN2O

Suppliers	Catalog Number
Enamine	EN300-57081

Database	Data ID
PubChem	47002308

M. W.

232.66566

CAS

Similarity

N/A

ID: 264866

5-amino-2-ethylbenzene-1-sulfonamide

$$$$ Data

M. F.

C8H12N2O2S

Suppliers	Catalog Number
Enamine	EN300-57082

Database	Data ID
PubChem	43255786

M. W.

200.25808

CAS

Similarity

N/A

ID: 264867

3-(chloromethyl)-1-(3-fluorophenyl)-1H-pyrazole

$$$$ Data

M. F.

C10H8ClFN2

Suppliers	Catalog Number
Enamine	EN300-57086

Database	Data ID
PubChem	47002309

M. W.

210.6353232

CAS

Similarity

N/A

ID: 264868

1-(4-chlorobutanoyl)-3-methylurea

$$$$ Data

M. F.

C6H11ClN2O2

Suppliers	Catalog Number
Enamine	EN300-57095

Database	Data ID
PubChem	47002310

M. W.

178.61674

CAS

Similarity

N/A

ID: 264869

N-(carbamothioylmethyl)-N-methylbenzamide

$$$$ Data

M. F.

C10H12N2OS

Suppliers	Catalog Number
Enamine	EN300-57098

Database	Data ID
PubChem	15053469

M. W.

208.28008

CAS

Similarity

N/A

ID: 264870

4-(morpholin-4-ylmethyl)benzene-1-carboximidamide hydrochloride

$$$$ Data

M. F.

C12H18ClN3O

Suppliers	Catalog Number
Enamine	EN300-57107

Database	Data ID
PubChem	47002311

M. W.

255.74382

CAS

Similarity

N/A

ID: 264871

6-methyl-1,2-dihydropyrimidine-2-thione hydrochloride

$$$$ Data

M. F.

C5H7ClN2S

Suppliers	Catalog Number
Enamine	EN300-57111

Database	Data ID
PubChem	2723697

M. W.

162.64048

CAS

Similarity

N/A

ID: 264872

4-(4-fluorophenyl)-1H-imidazole; nitric acid

$$$$ Data

M. F.

C9H8FN3O3

Suppliers	Catalog Number
Enamine	EN300-57112

Database	Data ID
PubChem	47002312

M. W.

225.1765232

CAS

Similarity

N/A

ID: 264873

3-(octyloxy)propan-1-amine hydrochloride

$$$$ Data

M. F.

C11H26ClNO

Suppliers	Catalog Number
Enamine	EN300-57115

Database	Data ID
PubChem	47002313

M. W.

223.78324

CAS

Similarity

N/A

ID: 264874

3-(3-chlorophenyl)-1,2,4-thiadiazol-5-amine

$$$$ Data

M. F.

C8H6ClN3S

Suppliers	Catalog Number
Enamine	EN300-57116

Database	Data ID
PubChem	23468447

M. W.

211.67134

CAS

Similarity

N/A

ID: 264875

(2E)-3-(2,3-dihydro-1-benzofuran-5-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]prop-2...

$$$$ Data

M. F.

C17H21NO3

Suppliers	Catalog Number
Enamine	EN300-57117

Database	Data ID
PubChem	43422186

M. W.

287.35354

CAS

Similarity

N/A

ID: 264876

3-{[(4-methoxyphenyl)methoxy]methyl}aniline

$$$$ Data

M. F.

C15H17NO2

Suppliers	Catalog Number
Enamine	EN300-57119

Database	Data ID
PubChem	28491010

M. W.

243.30098

CAS

Similarity

N/A

ID: 264877

5-chloro-2-(propan-2-yl)pyrimidine-4-carboxylic acid

$$$$ Data

M. F.

C8H9ClN2O2

Suppliers	Catalog Number
Enamine	EN300-57121

Database	Data ID
PubChem	47002314

M. W.

200.62226

CAS

Similarity

N/A

ID: 264878

2-methoxypyridine-3-carboxamide

$$$$ Data

M. F.

C7H8N2O2

Suppliers	Catalog Number
Enamine	EN300-57122

Database	Data ID
PubChem	252369

M. W.

152.15062

CAS

Similarity

N/A

ID: 264879

4-(5-{[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)pyri...

$$$$ Data

M. F.

C16H11N5O2S

Suppliers	Catalog Number
Enamine	EN300-57123

Database	Data ID
PubChem	17408143

M. W.

337.35584

CAS

Similarity

N/A

ID: 264880

3-{[4-(hydroxymethyl)piperidin-1-yl]sulfonyl}thiophene-2-carboxylic acid

$$$$ Data

M. F.

C11H15NO5S2

Suppliers	Catalog Number
Enamine	EN300-57125

Database	Data ID
PubChem	43329031

M. W.

305.3705

CAS

Similarity

N/A

ID: 264881

1-(3-amino-2-hydroxypropyl)pyrrolidin-2-one

$$$$ Data

M. F.

C7H14N2O2

Suppliers	Catalog Number
Enamine	EN300-57126

Database	Data ID
PubChem	16795444

M. W.

158.19826

CAS

Similarity

N/A

ID: 264882

1-(4-aminobutyl)-1,2-dihydropyridin-2-one

$$$$ Data

M. F.

C9H14N2O

Suppliers	Catalog Number
Enamine	EN300-57127

Database	Data ID
PubChem	20117870

M. W.

166.22026

CAS

Similarity

N/A

ID: 264883

2,2,2-trifluoroethyl N-(quinolin-5-yl)carbamate

$$$$ Data

M. F.

C12H9F3N2O2

Suppliers	Catalog Number
Enamine	EN300-57132

Database	Data ID
PubChem	39871559

M. W.

270.2072696

CAS

Similarity

N/A

ID: 264884

2-(1,3-benzothiazol-2-yl)benzoyl chloride

$$$$ Data

M. F.

C14H8ClNOS

Suppliers	Catalog Number
Enamine	EN300-57138

Database	Data ID
PubChem	20556613

M. W.

273.73742

CAS

Similarity

N/A

ID: 264885

octahydroimidazolidino[1,5-a]pyridin-3-one

$$$$ Data

M. F.

C7H12N2O

Suppliers	Catalog Number
Enamine	EN300-57139

Database	Data ID
PubChem	47002315

M. W.

140.18298

CAS

Similarity

N/A

ID: 264886

3-(thiomorpholine-4-sulfonyl)thiophene-2-carboxylic acid

$$$$ Data

M. F.

C9H11NO4S3

Suppliers	Catalog Number
Enamine	EN300-57140

Database	Data ID
PubChem	43146630

M. W.

293.38294

CAS

Similarity

N/A

ID: 264887

4-chloro-2-hydroxybenzamide

$$$$ Data

M. F.

C7H6ClNO2

Suppliers	Catalog Number
Enamine	EN300-57141

Database	Data ID
PubChem	13726281

M. W.

171.58104

CAS

Similarity

N/A

ID: 264888

2-methoxy-5-(4-methylpiperazine-1-carbonyl)aniline

$$$$ Data

M. F.

C13H19N3O2

Suppliers	Catalog Number
Enamine	EN300-57142

Database	Data ID
PubChem	16770969

M. W.

249.30886

CAS

Similarity

N/A

ID: 264889

2-[2-(1H-1,2,3,4-tetrazol-1-yl)acetamido]benzoic acid

$$$$ Data

M. F.

C10H9N5O3

Suppliers	Catalog Number
Enamine	EN300-57143

Database	Data ID
PubChem	24705100

M. W.

247.21016

CAS

Similarity

N/A

ID: 264890

octahydro-1H-cyclopenta[b]pyridine hydrochloride

$$$$ Data

M. F.

C8H16ClN

Suppliers	Catalog Number
Enamine	EN300-57144

Database	Data ID
PubChem	2831833

M. W.

161.67234

CAS

Similarity

N/A

ID: 264891

methyl 2-[(2Z)-3-(3-chloropropyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate

$$$$ Data

M. F.

C9H12ClNO3S

Suppliers	Catalog Number
Enamine	EN300-57146

Database	Data ID
PubChem	47002316

M. W.

249.71448

CAS

Similarity

N/A

ID: 264892

ethyl({[4-(4-methoxypiperidin-1-yl)phenyl]methyl})amine

$$$$ Data

M. F.

C15H24N2O

Suppliers	Catalog Number
Enamine	EN300-57147

Database	Data ID
PubChem	43373130

M. W.

248.36386

CAS

Similarity

N/A

ID: 264893

[(3,4-dichlorophenyl)methyl][2-(pyrrolidin-1-yl)ethyl]amine

$$$$ Data

M. F.

C13H18Cl2N2

Suppliers	Catalog Number
Enamine	EN300-57149

Database	Data ID
PubChem	5039009

M. W.

273.20142

CAS

Similarity

N/A

ID: 264894

4-hydroxybenzamide hydrate

$$$$ Data

M. F.

C7H9NO3

Suppliers	Catalog Number
Enamine	EN300-57153

Database	Data ID
PubChem	47002317

M. W.

155.15126

CAS

Similarity

N/A

ID: 264895

2-(2-methoxyphenyl)-1-(piperazin-1-yl)ethan-1-one

$$$$ Data

M. F.

C13H18N2O2

Suppliers	Catalog Number
Enamine	EN300-57154

Database	Data ID
PubChem	43082782

M. W.

234.29422

CAS

Similarity

N/A

ID: 264896

5-(5-chlorothiophen-2-yl)-1,2,4-triazin-3-amine

$$$$ Data

M. F.

C7H5ClN4S

Suppliers	Catalog Number
Enamine	EN300-57157

Database	Data ID
PubChem	43439221

M. W.

212.6594

CAS

Similarity

N/A

ID: 264897

5-(5-methylfuran-2-yl)-1,2,4-triazin-3-amine

$$$$ Data

M. F.

C8H8N4O

Suppliers	Catalog Number
Enamine	EN300-57158

Database	Data ID
PubChem	43134504

M. W.

176.17532

CAS

Similarity

N/A

ID: 264898

2-amino-4,5-diethoxybenzoic acid

$$$$ Data

M. F.

C11H15NO4

Suppliers	Catalog Number
Enamine	EN300-57159

Database	Data ID
PubChem	4739151

M. W.

225.2411

CAS

Similarity

N/A

ID: 264899

2-(5-nitro-2-oxo-1,2-dihydropyridin-1-yl)acetic acid

$$$$ Data

M. F.

C7H6N2O5

Suppliers	Catalog Number
Enamine	EN300-57167

Database	Data ID
PubChem	21493825

M. W.

198.13294

CAS

Similarity

N/A

ID: 264900

3-phenyl-2-(pyridin-3-ylformamido)propanoic acid

$$$$ Data

M. F.

C15H14N2O3

Suppliers	Catalog Number
Enamine	EN300-57174

Database	Data ID
PubChem	336554

M. W.

270.28326

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