ChemSpider 2D Image | 5-Amino-1-{[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N-(5-fluoro-2-methylphenyl)-1H-1,2,3-triazole-4-carboxamide | C21H18ClFN6O2

5-Amino-1-{[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N-(5-fluoro-2-methylphenyl)-1H-1,2,3-triazole-4-carboxamide

  • Molecular FormulaC21H18ClFN6O2
  • Average mass440.858 Da
  • Monoisotopic mass440.116394 Da
  • ChemSpider ID26023093

More details:

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

1H-1,2,3-Triazole-4-carboxamide, 5-amino-1-[[2-(3-chlorophenyl)-5-methyl-4-oxazolyl]methyl]-N-(5-fluoro-2-methylphenyl)- [ACD/Index Name]
5-Amino-1-{[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N-(5-fluoro-2-methylphenyl)-1H-1,2,3-triazole-4-carboxamide [ACD/IUPAC Name]
5-Amino-1-{[2-(3-chlorophényl)-5-méthyl-1,3-oxazol-4-yl]méthyl}-N-(5-fluoro-2-méthylphényl)-1H-1,2,3-triazole-4-carboxamide [French] [ACD/IUPAC Name]
5-Amino-1-{[2-(3-chlorphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N-(5-fluor-2-methylphenyl)-1H-1,2,3-triazol-4-carboxamid [German] [ACD/IUPAC Name]
1251692-89-3 [RN]
5-amino-1-((2-(3-chlorophenyl)-5-methyloxazol-4-yl)methyl)-N-(5-fluoro-2-methylphenyl)-1H-1,2,3-triazole-4-carboxamide

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: 1.690
Molar Refractivity: 113.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.89
ACD/LogD (pH 5.5): 3.22
ACD/BCF (pH 5.5): 165.26
ACD/KOC (pH 5.5): 1346.95
ACD/LogD (pH 7.4): 3.22
ACD/BCF (pH 7.4): 163.42
ACD/KOC (pH 7.4): 1331.98
Polar Surface Area: 112 Å2
Polarizability: 45.0±0.5 10-24cm3
Surface Tension: 54.0±7.0 dyne/cm
Molar Volume: 297.0±7.0 cm3

Click to predict properties on the Chemicalize site


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