Chembase list of 866358 unique molecular structures

4-methyl-5-(²H₅)phenyl-4,5-dihydro-1,3-oxazol-2-amine

$$$$ Data

M. F.

C10H12N2O

Suppliers	Catalog Number
TRC	M287227

Database	Data ID
PubChem	71750187

M. W.

176.21508

CAS

152477-94-6

Similarity

N/A

ID: 173302

5-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine

$$$$ Data

M. F.

C10H12N2O

Suppliers	Catalog Number
TRC	M287230

Database	Data ID
PubChem	550760

M. W.

176.21508

CAS

959249-62-8

Similarity

N/A

ID: 173303

5-[4-(²H₃)methylphenyl]-4,5-dihydro-1,3-oxazol-2-amine

$$$$ Data

M. F.

C10H12N2O

Suppliers	Catalog Number
TRC	M287232

Database	Data ID
PubChem	71750188

M. W.

176.21508

CAS

1329610-51-6

Similarity

N/A

ID: 173304

3-(methylamino)-1-(thiophen-2-yl)propan-1-ol; oxalic acid

$$$$ Data

M. F.

C10H15NO5S

Suppliers	Catalog Number
TRC	M287250

Database	Data ID
PubChem	71750189

M. W.

261.2948

CAS

1035456-54-2

Similarity

N/A

ID: 173305

3-[(²H₃)methylamino]-1-(thiophen-2-yl)propan-1-ol; oxalic ...

$$$$ Data

M. F.

C10H15NO5S

Suppliers	Catalog Number
TRC	M287252

Database	Data ID
PubChem	71750190

M. W.

261.2948

CAS

Similarity

N/A

ID: 173306

2-(methylamino)-1-phenylpentan-1-one hydrochloride

$$$$ Data

M. F.

C12H18ClNO

Suppliers	Catalog Number
TRC	M287300

Database	Data ID
PubChem	71750191

M. W.

227.73042

CAS

879669-95-1

Similarity

N/A

ID: 173307

2-[(²H₃)methylamino]-1-phenylpentan-1-one hydrochloride

$$$$ Data

M. F.

C12H18ClNO

Suppliers	Catalog Number
TRC	M287302

Database	Data ID
PubChem	71750192

M. W.

227.73042

CAS

Similarity

N/A

ID: 173308

4-amino-5-(ethanesulfonyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-N-methyl...

$$$$ Data

M. F.

C18H29N3O4S

Suppliers	Catalog Number
TRC	M287320

Database	Data ID
PubChem	68169884

M. W.

383.50556

CAS

Similarity

N/A

ID: 173309

4-amino-5-(ethanesulfonyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-N-(^...

$$$$ Data

M. F.

C18H29N3O4S

Suppliers	Catalog Number
TRC	M287322

Database	Data ID
PubChem	71750194

M. W.

383.50556

CAS

Similarity

N/A

ID: 173310

1-(4-methylphenyl)propan-2-amine hydrochloride

$$$$ Data

M. F.

C10H16ClN

Suppliers	Catalog Number
TRC	M287400

Database	Data ID
PubChem	199115

M. W.

185.69374

CAS

41632-56-8

Similarity

N/A

ID: 173311

1-(4-methylphenyl)(²H₆)propan-2-amine hydrochloride

$$$$ Data

M. F.

C10H16ClN

Suppliers	Catalog Number
TRC	M287402

Database	Data ID
PubChem	71750195

M. W.

185.69374

CAS

Similarity

N/A

ID: 173312

3-(1-methylpiperidin-2-yl)pyridine

$$$$ Data

M. F.

C11H16N2

Suppliers	Catalog Number
TRC	M287500
InterBioScreen	STOCK1N-02041
A&J Pharmtech	AJA-O35098

Database	Data ID
PubChem	29758

M. W.

176.25814

CAS

24380-92-5

Similarity

N/A

ID: 173313

(1'S,9'R,10'R,11'S,15'S)-9',15'-dimethylspiro[1,3-dioxolane-2,5'-tetracyclo[8.7....

$$$$ Data

M. F.

C21H30O3

Suppliers	Catalog Number
TRC	M287750

Database	Data ID
PubChem	15661074

M. W.

330.4611

CAS

141664-12-2

Similarity

N/A

ID: 173314

(1S,2S,5S,7S,10R,11S,14S,15S)-2,14,15-trimethyltetracyclo[8.7.0.0²,

$$$$ Data

M. F.

C20H34O2

Suppliers	Catalog Number
TRC	M287850

Database	Data ID
PubChem	101819

M. W.

306.48276

CAS

641-83-8

Similarity

N/A

ID: 173315

(1S,2S,5S,7S,10R,11S,14S,15S)-14-(²H₃)methyl-2,15-dimethyl...

$$$$ Data

M. F.

C20H34O2

Suppliers	Catalog Number
TRC	M287852

Database	Data ID
PubChem	71750197

M. W.

306.48276

CAS

Similarity

N/A

ID: 173316

(2S)-2-amino-4-(3-methylcarbamimidamido)butanoic acid

$$$$ Data

M. F.

C6H14N4O2

Suppliers	Catalog Number
TRC	M288265

Database	Data ID
PubChem	44398706

M. W.

174.20096

CAS

186308-99-6

Similarity

N/A

ID: 173317

calcium bis((3S,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-(propan...

$$$$ Data

M. F.

C68H72CaF2N4O10

Suppliers	Catalog Number
TRC	M288270

Database	Data ID
PubChem	71750198

M. W.

1183.3948864

CAS

887196-29-4

Similarity

N/A

ID: 173318

2-methyl-1H-pyrrolo[3,2-b]pyridine

$$$$ Data

M. F.

C8H8N2

Suppliers	Catalog Number
TRC	M288655
Bide Pharmatech	BD215119

Database	Data ID
PubChem	11586310

M. W.

132.16252

CAS

73177-35-2

Similarity

N/A

ID: 173319

2-methyl-1H-pyrrolo[3,2-c]pyridine

$$$$ Data

M. F.

C8H8N2

Suppliers	Catalog Number
TRC	M288660
Bide Pharmatech	BD215120

Database	Data ID
PubChem	14047161

M. W.

132.16252

CAS

113975-37-4

Similarity

N/A

ID: 173320

3-methyl-1H-pyrrolo[2,3-b]pyridine

$$$$ Data

M. F.

C8H8N2

Suppliers	Catalog Number
TRC	M288665
Bide Pharmatech	BD88138

Database	Data ID
PubChem	10931471

M. W.

132.16252

CAS

5654-93-3

Similarity

N/A

ID: 173321

2-{2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl}acetic acid

$$$$ Data

M. F.

C10H10N2O2

Suppliers	Catalog Number
TRC	M288670

Database	Data ID
PubChem	49759082

M. W.

190.1986

CAS

7546-50-1

Similarity

N/A

ID: 173322

N'-(1-methylazepan-4-yl)benzohydrazide hydrochloride

$$$$ Data

M. F.

C14H22ClN3O

Suppliers	Catalog Number
TRC	M288685

Database	Data ID
PubChem	66524312

M. W.

283.79698

CAS

117078-69-0

Similarity

N/A

ID: 173323

N'-(1-methylazepan-4-yl)(²H₅)benzohydrazide hydrochloride

$$$$ Data

M. F.

C14H22ClN3O

Suppliers	Catalog Number
TRC	M288687

Database	Data ID
PubChem	71750200

M. W.

283.79698

CAS

Similarity

N/A

ID: 173324

3-methyl-1H,2H,3H-pyrrolo[2,3-b]pyridin-2-one

$$$$ Data

M. F.

C8H8N2O

Suppliers	Catalog Number
TRC	M288695

Database	Data ID
PubChem	68301678

M. W.

148.16192

CAS

Similarity

N/A

ID: 173325

(2S,3R,4S,5R,6S)-5-azido-4-(benzoyloxy)-2-methoxy-6-[(triphenylmethoxy)methyl]ox...

$$$$ Data

M. F.

C40H35N3O7

Suppliers	Catalog Number
TRC	M288725

Database	Data ID
PubChem	71750202

M. W.

669.7218

CAS

26511-50-2

Similarity

N/A

ID: 173326

(2R,3R,4S,5R,6S)-3-azido-4-(benzyloxy)-5,6-dimethoxy-2-methyloxane

$$$$ Data

M. F.

C15H21N3O4

Suppliers	Catalog Number
TRC	M288745

Database	Data ID
PubChem	71750203

M. W.

307.34494

CAS

861819-28-5

Similarity

N/A

ID: 173327

1-(²H₃)methyltetraphene

$$$$ Data

M. F.

C19H14

Suppliers	Catalog Number
TRC	M288752

Database	Data ID
PubChem	71750204

M. W.

242.31446

CAS

Similarity

N/A

ID: 173328

2-methyltetraphene

$$$$ Data

M. F.

C19H14

Suppliers	Catalog Number
TRC	M288755

Database	Data ID
PubChem	17255

M. W.

242.31446

CAS

2498-76-2

Similarity

N/A

ID: 173329

2-(²H₃)methyl(²H₁₁)tetrap...

$$$$ Data

M. F.

C19H14

Suppliers	Catalog Number
TRC	M288757

Database	Data ID
PubChem	71750205

M. W.

242.31446

CAS

Similarity

N/A

ID: 173330

3-methyltetraphene

$$$$ Data

M. F.

C19H14

Suppliers	Catalog Number
TRC	M288760

Database	Data ID
PubChem	17254

M. W.

242.31446

CAS

2498-75-1

Similarity

N/A

ID: 173331

3-(²H₃)methyltetraphene

$$$$ Data

M. F.

C19H14

Suppliers	Catalog Number
TRC	M288762

Database	Data ID
PubChem	71750206

M. W.

242.31446

CAS

Similarity

N/A

ID: 173332

methyl 4-azido-2,3,5,6-tetrafluorobenzoate

$$$$ Data

M. F.

C8H3F4N3O2

Suppliers	Catalog Number
TRC	M288765

Database	Data ID
PubChem	129750

M. W.

249.1219328

CAS

122590-75-4

Similarity

N/A

ID: 173333

[4-(²H₃)methylphenyl](phenyl)methanone

$$$$ Data

M. F.

C14H12O

Suppliers	Catalog Number
TRC	M288772

Database	Data ID
PubChem	71750207

M. W.

196.24448

CAS

109339-64-2

Similarity

N/A

ID: 173334

4-methyltetraphene

$$$$ Data

M. F.

C19H14

Suppliers	Catalog Number
TRC	M288775

Database	Data ID
PubChem	39397

M. W.

242.31446

CAS

316-49-4

Similarity

N/A

ID: 173335

4-(²H₃)methyltetraphene

$$$$ Data

M. F.

C19H14

Suppliers	Catalog Number
TRC	M288777

Database	Data ID
PubChem	71750208

M. W.

242.31446

CAS

Similarity

N/A

ID: 173336

4-(²H₃)methyl-1H-1,2,3-benzotriazole

$$$$ Data

M. F.

C7H7N3

Suppliers	Catalog Number
TRC	M288782

Database	Data ID
PubChem	46782192

M. W.

133.15058

CAS

Similarity

N/A

ID: 173337

5-(²H₃)methyl(4,6,7-²H₃)-1H-1,2,3-be...

$$$$ Data

M. F.

C7H7N3

Suppliers	Catalog Number
TRC	M288787

Database	Data ID
PubChem	57370101

M. W.

133.15058

CAS

Similarity

N/A

ID: 173338

(1-methyl-1H-1,2,3-benzotriazol-5-yl)methanamine

$$$$ Data

M. F.

C8H10N4

Suppliers	Catalog Number
TRC	M288790

Database	Data ID
PubChem	2795420

M. W.

162.1918

CAS

499770-77-3

Similarity

N/A

ID: 173339

5-methyltetraphene

$$$$ Data

M. F.

C19H14

Suppliers	Catalog Number
TRC	M288795

Database	Data ID
PubChem	75348

M. W.

242.31446

CAS

2319-96-2

Similarity

N/A

ID: 173340

5-(²H₃)methyl(²H₁₁)tetrap...

$$$$ Data

M. F.

C19H14

Suppliers	Catalog Number
TRC	M288797

Database	Data ID
PubChem	71750209

M. W.

242.31446

CAS

Similarity

N/A

ID: 173341

6-methyltetraphene

$$$$ Data

M. F.

C19H14

Suppliers	Catalog Number
TRC	M288805

Database	Data ID
PubChem	9422

M. W.

242.31446

CAS

316-14-3

Similarity

N/A

ID: 173342

6-(²H₃)methyl(²H₁₁)tetrap...

$$$$ Data

M. F.

C19H14

Suppliers	Catalog Number
TRC	M288807

Database	Data ID
PubChem	71750210

M. W.

242.31446

CAS

Similarity

N/A

ID: 173343

7-methyltetraphene

$$$$ Data

M. F.

C19H14

Suppliers	Catalog Number
TRC	M288810

Database	Data ID
PubChem	17347

M. W.

242.31446

CAS

2541-69-7

Similarity

N/A

ID: 173344

7-(²H₃)methyltetraphene

$$$$ Data

M. F.

C19H14

Suppliers	Catalog Number
TRC	M288812

Database	Data ID
PubChem	71750211

M. W.

242.31446

CAS

Similarity

N/A

ID: 173345

8-methyltetraphene

$$$$ Data

M. F.

C19H14

Suppliers	Catalog Number
TRC	M288815

Database	Data ID
PubChem	16933

M. W.

242.31446

CAS

2381-31-9

Similarity

N/A

ID: 173346

8-(²H₃)methyl(²H₁₁)tetrap...

$$$$ Data

M. F.

C19H14

Suppliers	Catalog Number
TRC	M288817

Database	Data ID
PubChem	71750212

M. W.

242.31446

CAS

Similarity

N/A

ID: 173347

9-methyltetraphene

$$$$ Data

M. F.

C19H14

Suppliers	Catalog Number
TRC	M288820

Database	Data ID
PubChem	16930

M. W.

242.31446

CAS

2381-16-0

Similarity

N/A

ID: 173348

9-(²H₃)methyl(²H₁₁)tetrap...

$$$$ Data

M. F.

C19H14

Suppliers	Catalog Number
TRC	M288822

Database	Data ID
PubChem	71750213

M. W.

242.31446

CAS

Similarity

N/A

ID: 173349

10-methyltetraphene

$$$$ Data

M. F.

C19H14

Suppliers	Catalog Number
TRC	M288825

Database	Data ID
PubChem	16929

M. W.

242.31446

CAS

2381-15-9

Similarity

N/A

ID: 173350

4-methylbenzene-1-sulfonic acid 2,2,2-trichloroethyl (2S)-2-amino-3-phenylpropan...

$$$$ Data

M. F.

C18H20Cl3NO5S

Suppliers	Catalog Number
TRC	M288830

Database	Data ID
PubChem	71750214

M. W.

468.7791

CAS

69472-84-0

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