ChemSpider 2D Image | 3-[1-(4-Chlorophenyl)-1H-1,2,3-triazol-4-yl]-N-(4-methoxyphenyl)-1,2,4-oxadiazole-5-carboxamide | C18H13ClN6O3

3-[1-(4-Chlorophenyl)-1H-1,2,3-triazol-4-yl]-N-(4-methoxyphenyl)-1,2,4-oxadiazole-5-carboxamide

  • Molecular FormulaC18H13ClN6O3
  • Average mass396.787 Da
  • Monoisotopic mass396.073761 Da
  • ChemSpider ID29159514

More details:

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

1,2,4-Oxadiazole-5-carboxamide, 3-[1-(4-chlorophenyl)-1H-1,2,3-triazol-4-yl]-N-(4-methoxyphenyl)- [ACD/Index Name]
3-[1-(4-Chlorophenyl)-1H-1,2,3-triazol-4-yl]-N-(4-methoxyphenyl)-1,2,4-oxadiazole-5-carboxamide [ACD/IUPAC Name]
3-[1-(4-Chlorophényl)-1H-1,2,3-triazol-4-yl]-N-(4-méthoxyphényl)-1,2,4-oxadiazole-5-carboxamide [French] [ACD/IUPAC Name]
3-[1-(4-Chlorphenyl)-1H-1,2,3-triazol-4-yl]-N-(4-methoxyphenyl)-1,2,4-oxadiazol-5-carboxamid [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.715
Molar Refractivity: 102.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.28
ACD/LogD (pH 5.5): 2.94
ACD/BCF (pH 5.5): 100.24
ACD/KOC (pH 5.5): 941.66
ACD/LogD (pH 7.4): 2.92
ACD/BCF (pH 7.4): 96.20
ACD/KOC (pH 7.4): 903.71
Polar Surface Area: 108 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 60.5±7.0 dyne/cm
Molar Volume: 261.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement