ChemSpider 2D Image | (5S)-2-(Dimethylamino)-5-phenyl-1,3-oxazol-4(5H)-one | C11H12N2O2

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

  • Molecular FormulaC11H12N2O2
  • Average mass204.225 Da
  • Monoisotopic mass204.089874 Da
  • ChemSpider ID34986072

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(5S)-2-(Dimethylamino)-5-phenyl-1,3-oxazol-4(5H)-on [German] [ACD/IUPAC Name]
(5S)-2-(Dimethylamino)-5-phenyl-1,3-oxazol-4(5H)-one [ACD/IUPAC Name]
(5S)-2-(Diméthylamino)-5-phényl-1,3-oxazol-4(5H)-one [French] [ACD/IUPAC Name]
4(5H)-Oxazolone, 2-(dimethylamino)-5-phenyl-, (5S)- [ACD/Index Name]
655-05-0 [RN]
Thozalinone [Wiki]
UNII-68X5932947

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

Density: 1.2±0.1 g/cm3
Boiling Point: 294.8±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.5±3.0 kJ/mol
Flash Point: 132.1±28.2 °C
Index of Refraction: 1.585
Molar Refractivity: 57.0±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.82
ACD/LogD (pH 5.5): 0.99
ACD/BCF (pH 5.5): 3.34
ACD/KOC (pH 5.5): 82.43
ACD/LogD (pH 7.4): 0.99
ACD/BCF (pH 7.4): 3.34
ACD/KOC (pH 7.4): 82.43
Polar Surface Area: 42 Å2
Polarizability: 22.6±0.5 10-24cm3
Surface Tension: 42.0±7.0 dyne/cm
Molar Volume: 170.2±7.0 cm3

Click to predict properties on the Chemicalize site


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