ChemSpider 2D Image | N-{2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl}pyridin-2-amine | C18H21N3O

N-{2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl}pyridin-2-amine

  • Molecular FormulaC18H21N3O
  • Average mass295.379 Da
  • Monoisotopic mass295.168457 Da
  • ChemSpider ID25943036

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

N-{2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl}pyridin-2-amine

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

Density: 1.1±0.1 g/cm3
Boiling Point: 430.2±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.6±3.0 kJ/mol
Flash Point: 214.0±23.2 °C
Index of Refraction: 1.595
Molar Refractivity: 88.4±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.90
ACD/LogD (pH 5.5): 3.49
ACD/BCF (pH 5.5): 234.01
ACD/KOC (pH 5.5): 1491.78
ACD/LogD (pH 7.4): 3.71
ACD/BCF (pH 7.4): 389.14
ACD/KOC (pH 7.4): 2480.75
Polar Surface Area: 47 Å2
Polarizability: 35.0±0.5 10-24cm3
Surface Tension: 40.3±7.0 dyne/cm
Molar Volume: 260.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement