chempirical

Pemoline

C9H8N2O2CAS 2152-34-3176.17 g/mol

Open in Covalent MOL file
HNHNOO

Properties

Molecular formula
C9H8N2O2
Molar mass
176.17 g/mol
Exact mass
176.0586 Da
Melting point
256 °C (decomposes)
pKa
10.5
logP
1.65Crippen estimate
Polar surface area
65.7 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

Identifiers

CAS number
2152-34-3
SMILES
N=C1N=C(O)C(c2ccccc2)O1
InChIKey
NRNCYVBFPDDJNE-UHFFFAOYSA-N
InChI
InChI=1S/C9H8N2O2/c10-9-11-8(12)7(13-9)6-4-2-1-3-5-6/h1-5,7H,(H2,10,11,12)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

46 names · show all
  • 4(5H)-Oxazolone, 2-amino-5-phenyl-
  • 2-Oxazolin-4-one, 2-amino-5-phenyl-
  • 4-Oxazolidinone, 2-imino-5-phenyl-
  • 2-Amino-5-phenyl-4(5H)-oxazolone
  • Azoxodone
  • 2-Imino-5-phenyl-4-oxazolidinone
  • Kethamed
  • Okodon
  • 5-Phenyl-2-imino-4-oxooxazolidine
  • Tradon
  • Tradone
  • Pemolin
  • Pondex
  • 5-Phenyl-2-iminooxazolidin-4-one
  • 2-Imino-4-oxo-5-phenyloxazolidine
  • 2-Amino-5-phenyl-2-oxazolin-4-one
  • 2-Imino-4-keto-5-phenyltetrahydrooxazole
  • Pheniminooxazolidinone
  • Phenoxazole
  • Phenylisohydantoin
  • Phenylpseudohydantoin
  • LA 956
  • Yh 1
  • PIO
  • Azoksodon
  • Dantromin
  • Azoxodon
  • Centramin
  • Deltamin
  • Stimul
  • Ronyl
  • Hyton
  • Sistra
  • Pioxol
  • Stimulol
  • Sigmadyn
  • NSC 25159
  • Hyton asa
  • Nitan
  • Volital
  • Deltamine
  • Senior
  • NSC 169499
  • 2-Amino-5-phenyl-1,3-oxazol-4(5H)-one
  • Fenoxazol
  • 2-Amino-5-phenyl-4-oxazolone

Work with Pemoline

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Phenylhydantoin89-24-741 % similar Hydroxy(phenyl)acetic acid hydrazide2443-66-538 % similar (-)-O-Acetylmandelic acid51019-43-337 % similar O-Acetylmandelic acid5438-68-637 % similar (+)-O-Acetyl-L-mandelic Acid7322-88-537 % similar Rel-(3R,4S)-3-(Acetyloxy)-4-phenyl-2-azetidinone133066-59-837 % similar Mandelamide4410-31-537 % similar Felbamate25451-15-437 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

5-Methyl-1H-indazole-3-carboxylic acid1201-24-7 Methyl 7-azaindole-6-carboxylate1256825-86-1 Methyl imidazo(1,2-a)pyridine-6-carboxylate136117-69-6 5-Amino-1H-indole-2-carboxylic acid152213-40-6 Methyl 1H-indazole-6-carboxylate170487-40-8 Imidazo[1,2-a]pyridine-3-acetic acid17745-04-9 4-(1H)Indazole carboxylic acid methyl ester192945-49-6 4-Amino-N-methylphthalimide2307-00-8

Elsewhere

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