ChemSpider 2D Image | (2S,5R)-3-(4-Chlorophenyl)-8-methyl-2-(3-phenyl-1,2-oxazol-5-yl)-8-azabicyclo[3.2.1]octane | C23H23ClN2O

(2S,5R)-3-(4-Chlorophenyl)-8-methyl-2-(3-phenyl-1,2-oxazol-5-yl)-8-azabicyclo[3.2.1]octane

  • Molecular FormulaC23H23ClN2O
  • Average mass378.895 Da
  • Monoisotopic mass378.149902 Da
  • ChemSpider ID23181741
  • defined stereocentres - 2 of 4 defined stereocentres


More details:






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

(2S,5R)-3-(4-Chlorophenyl)-8-methyl-2-(3-phenyl-1,2-oxazol-5-yl)-8-azabicyclo[3.2.1]octane [ACD/IUPAC Name]
(2S,5R)-3-(4-Chlorophényl)-8-méthyl-2-(3-phényl-1,2-oxazol-5-yl)-8-azabicyclo[3.2.1]octane [French] [ACD/IUPAC Name]
(2S,5R)-3-(4-Chlorphenyl)-8-methyl-2-(3-phenyl-1,2-oxazol-5-yl)-8-azabicyclo[3.2.1]octan [German] [ACD/IUPAC Name]
8-Azabicyclo[3.2.1]octane, 3-(4-chlorophenyl)-8-methyl-2-(3-phenyl-5-isoxazolyl)-, (2S,5R)- [ACD/Index Name]
(2S,5R)-3-(4-Chloro-phenyl)-8-methyl-2-(3-phenyl-isoxazol-5-yl)-8-aza-bicyclo[3.2.1]octane

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 523.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.7±3.0 kJ/mol
Flash Point: 270.4±30.1 °C
Index of Refraction: 1.596
Molar Refractivity: 107.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 1.50
ACD/BCF (pH 5.5): 1.48
ACD/KOC (pH 5.5): 6.12
ACD/LogD (pH 7.4): 2.07
ACD/BCF (pH 7.4): 5.47
ACD/KOC (pH 7.4): 22.61
Polar Surface Area: 29 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 44.9±3.0 dyne/cm
Molar Volume: 315.6±3.0 cm3

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