ChemSpider 2D Image | (5S)-2-Amino-5-phenyl-1,3-oxazol-4(5H)-one | C9H8N2O2

(5S)-2-Amino-5-phenyl-1,3-oxazol-4(5H)-one

  • Molecular FormulaC9H8N2O2
  • Average mass176.172 Da
  • Monoisotopic mass176.058578 Da
  • ChemSpider ID32796766

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(5S)-2-Amino-5-phenyl-1,3-oxazol-4(5H)-on [German] [ACD/IUPAC Name]
(5S)-2-Amino-5-phenyl-1,3-oxazol-4(5H)-one [ACD/IUPAC Name]
(5S)-2-Amino-5-phényl-1,3-oxazol-4(5H)-one [French] [ACD/IUPAC Name]
4(5H)-Oxazolone, 2-amino-5-phenyl-, (5S)- [ACD/Index Name]
2152-34-3 [RN]
218-438-8 [EINECS]
pemoline [BAN] [INN] [JAN] [USAN] [Wiki]
UNII-7GAQ2332NK

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 313.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.5±3.0 kJ/mol
Flash Point: 143.4±28.7 °C
Index of Refraction: 1.655
Molar Refractivity: 46.1±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.52
ACD/LogD (pH 5.5): 0.50
ACD/BCF (pH 5.5): 1.41
ACD/KOC (pH 5.5): 44.58
ACD/LogD (pH 7.4): 0.50
ACD/BCF (pH 7.4): 1.41
ACD/KOC (pH 7.4): 44.58
Polar Surface Area: 65 Å2
Polarizability: 18.3±0.5 10-24cm3
Surface Tension: 56.2±7.0 dyne/cm
Molar Volume: 125.7±7.0 cm3

Click to predict properties on the Chemicalize site


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