ChemSpider 2D Image | 3-(2-Chloro-6-fluorophenyl)-5-methyl-N-[4-(2-methyl-1-piperidinyl)butyl]-1,2-oxazole-4-carboxamide | C21H27ClFN3O2

3-(2-Chloro-6-fluorophenyl)-5-methyl-N-[4-(2-methyl-1-piperidinyl)butyl]-1,2-oxazole-4-carboxamide

  • Molecular FormulaC21H27ClFN3O2
  • Average mass407.909 Da
  • Monoisotopic mass407.177582 Da
  • ChemSpider ID30506356

More details:

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

3-(2-Chlor-6-fluorphenyl)-5-methyl-N-[4-(2-methyl-1-piperidinyl)butyl]-1,2-oxazol-4-carboxamid [German] [ACD/IUPAC Name]
3-(2-Chloro-6-fluorophenyl)-5-methyl-N-[4-(2-methyl-1-piperidinyl)butyl]-1,2-oxazole-4-carboxamide [ACD/IUPAC Name]
3-(2-Chloro-6-fluorophényl)-5-méthyl-N-[4-(2-méthyl-1-pipéridinyl)butyl]-1,2-oxazole-4-carboxamide [French] [ACD/IUPAC Name]
4-Isoxazolecarboxamide, 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[4-(2-methyl-1-piperidinyl)butyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 521.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.5±3.0 kJ/mol
Flash Point: 269.3±30.1 °C
Index of Refraction: 1.535
Molar Refractivity: 107.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.67
ACD/LogD (pH 5.5): 0.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.10
ACD/LogD (pH 7.4): 1.59
ACD/BCF (pH 7.4): 2.44
ACD/KOC (pH 7.4): 13.25
Polar Surface Area: 58 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 41.2±3.0 dyne/cm
Molar Volume: 346.6±3.0 cm3

Click to predict properties on the Chemicalize site


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