ChemSpider 2D Image | (1R,3S)-N-[4-(1,3-Benzoxazol-2-yl)phenyl]-N-methyl-3-(propionylamino)cyclopentanecarboxamide | C23H25N3O3

(1R,3S)-N-[4-(1,3-Benzoxazol-2-yl)phenyl]-N-methyl-3-(propionylamino)cyclopentanecarboxamide

  • Molecular FormulaC23H25N3O3
  • Average mass391.463 Da
  • Monoisotopic mass391.189606 Da
  • ChemSpider ID26616821
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(1R,3S)-N-[4-(1,3-Benzoxazol-2-yl)phenyl]-N-methyl-3-(propionylamino)cyclopentancarboxamid [German] [ACD/IUPAC Name]
(1R,3S)-N-[4-(1,3-Benzoxazol-2-yl)phenyl]-N-methyl-3-(propionylamino)cyclopentanecarboxamide [ACD/IUPAC Name]
(1R,3S)-N-[4-(1,3-Benzoxazol-2-yl)phényl]-N-méthyl-3-(propionylamino)cyclopentanecarboxamide [French] [ACD/IUPAC Name]
Cyclopentanecarboxamide, N-[4-(2-benzoxazolyl)phenyl]-N-methyl-3-[(1-oxopropyl)amino]-, (1R,3S)- [ACD/Index Name]
1291779-76-4 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 603.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.7±3.0 kJ/mol
Flash Point: 318.5±31.5 °C
Index of Refraction: 1.633
Molar Refractivity: 111.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.12
ACD/LogD (pH 5.5): 3.27
ACD/BCF (pH 5.5): 179.77
ACD/KOC (pH 5.5): 1430.66
ACD/LogD (pH 7.4): 3.27
ACD/BCF (pH 7.4): 179.78
ACD/KOC (pH 7.4): 1430.73
Polar Surface Area: 75 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 58.9±5.0 dyne/cm
Molar Volume: 311.6±5.0 cm3

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