ChemSpider 2D Image | N-[3-(1-Azepanyl)propyl]-3-[(5-chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)methyl]-1,2,4-oxadiazole-5-carboxamide | C20H24ClN5O4

N-[3-(1-Azepanyl)propyl]-3-[(5-chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)methyl]-1,2,4-oxadiazole-5-carboxamide

  • Molecular FormulaC20H24ClN5O4
  • Average mass433.889 Da
  • Monoisotopic mass433.151672 Da
  • ChemSpider ID29109653

More details:

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

1,2,4-Oxadiazole-5-carboxamide, 3-[(5-chloro-2-oxo-3(2H)-benzoxazolyl)methyl]-N-[3-(hexahydro-1H-azepin-1-yl)propyl]- [ACD/Index Name]
N-[3-(1-Azepanyl)propyl]-3-[(5-chlor-2-oxo-1,3-benzoxazol-3(2H)-yl)methyl]-1,2,4-oxadiazol-5-carboxamid [German] [ACD/IUPAC Name]
N-[3-(1-Azepanyl)propyl]-3-[(5-chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)methyl]-1,2,4-oxadiazole-5-carboxamide [ACD/IUPAC Name]
N-[3-(1-Azépanyl)propyl]-3-[(5-chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)méthyl]-1,2,4-oxadiazole-5-carboxamide [French] [ACD/IUPAC Name]
N-[3-(1-azepanyl)propyl]-3-{[5-chloro-2-oxo-1,3-benzoxazol-3(2H)-yl]methyl}-1,2,4-oxadiazole-5-carboxamide

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.595
Molar Refractivity: 109.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.11
ACD/LogD (pH 5.5): -0.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.26
Polar Surface Area: 101 Å2
Polarizability: 43.3±0.5 10-24cm3
Surface Tension: 59.1±3.0 dyne/cm
Molar Volume: 321.3±3.0 cm3

Click to predict properties on the Chemicalize site


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