ChemSpider 2D Image | 3-{[4-(2-Fluorophenyl)-1-piperazinyl]methyl}-5-methyl-1,3-benzoxazol-2(3H)-one | C19H20FN3O2

3-{[4-(2-Fluorophenyl)-1-piperazinyl]methyl}-5-methyl-1,3-benzoxazol-2(3H)-one

  • Molecular FormulaC19H20FN3O2
  • Average mass341.379 Da
  • Monoisotopic mass341.153961 Da
  • ChemSpider ID21107560

More details:

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

2(3H)-Benzoxazolone, 3-[[4-(2-fluorophenyl)-1-piperazinyl]methyl]-5-methyl- [ACD/Index Name]
3-{[4-(2-Fluorophenyl)-1-piperazinyl]methyl}-5-methyl-1,3-benzoxazol-2(3H)-one [ACD/IUPAC Name]
3-{[4-(2-Fluorophényl)-1-pipérazinyl]méthyl}-5-méthyl-1,3-benzoxazol-2(3H)-one [French] [ACD/IUPAC Name]
3-{[4-(2-Fluorphenyl)-1-piperazinyl]methyl}-5-methyl-1,3-benzoxazol-2(3H)-on [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 488.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.5±3.0 kJ/mol
Flash Point: 249.5±31.5 °C
Index of Refraction: 1.614
Molar Refractivity: 92.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.95
ACD/LogD (pH 5.5): 2.60
ACD/BCF (pH 5.5): 43.43
ACD/KOC (pH 5.5): 382.77
ACD/LogD (pH 7.4): 3.05
ACD/BCF (pH 7.4): 122.60
ACD/KOC (pH 7.4): 1080.49
Polar Surface Area: 36 Å2
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 51.5±3.0 dyne/cm
Molar Volume: 264.0±3.0 cm3

Click to predict properties on the Chemicalize site


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