ChemSpider 2D Image | 3-{[(3S)-3-(1,3-Benzoxazol-2-yl)-1-pyrrolidinyl]methyl}benzonitrile | C19H17N3O

3-{[(3S)-3-(1,3-Benzoxazol-2-yl)-1-pyrrolidinyl]methyl}benzonitrile

  • Molecular FormulaC19H17N3O
  • Average mass303.358 Da
  • Monoisotopic mass303.137177 Da
  • ChemSpider ID29849950

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-{[(3S)-3-(1,3-Benzoxazol-2-yl)-1-pyrrolidinyl]methyl}benzonitril [German] [ACD/IUPAC Name]
3-{[(3S)-3-(1,3-Benzoxazol-2-yl)-1-pyrrolidinyl]methyl}benzonitrile [ACD/IUPAC Name]
3-{[(3S)-3-(1,3-Benzoxazol-2-yl)-1-pyrrolidinyl]méthyl}benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 3-[[(3S)-3-(2-benzoxazolyl)-1-pyrrolidinyl]methyl]- [ACD/Index 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: 462.8±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.4±3.0 kJ/mol
Flash Point: 233.7±27.3 °C
Index of Refraction: 1.667
Molar Refractivity: 88.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.95
ACD/LogD (pH 5.5): 0.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.12
ACD/LogD (pH 7.4): 2.41
ACD/BCF (pH 7.4): 30.61
ACD/KOC (pH 7.4): 292.54
Polar Surface Area: 53 Å2
Polarizability: 35.2±0.5 10-24cm3
Surface Tension: 64.3±5.0 dyne/cm
Molar Volume: 238.7±5.0 cm3

Click to predict properties on the Chemicalize site


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