ChemSpider 2D Image | 1-{[3-(2-Chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}-N-isobutyl-3-piperidinecarboxamide | C21H25ClFN3O3

1-{[3-(2-Chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}-N-isobutyl-3-piperidinecarboxamide

  • Molecular FormulaC21H25ClFN3O3
  • Average mass421.893 Da
  • Monoisotopic mass421.156860 Da
  • ChemSpider ID30506357

More details:






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

1-{[3-(2-Chlor-6-fluorphenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}-N-isobutyl-3-piperidincarboxamid [German] [ACD/IUPAC Name]
1-{[3-(2-Chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}-N-isobutyl-3-piperidinecarboxamide [ACD/IUPAC Name]
1-{[3-(2-Chloro-6-fluorophényl)-5-méthyl-1,2-oxazol-4-yl]carbonyl}-N-isobutyl-3-pipéridinecarboxamide [French] [ACD/IUPAC Name]
3-Piperidinecarboxamide, 1-[[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl]-N-(2-methylpropyl)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 625.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.6±3.0 kJ/mol
Flash Point: 332.1±31.5 °C
Index of Refraction: 1.549
Molar Refractivity: 107.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.28
ACD/LogD (pH 5.5): 2.99
ACD/BCF (pH 5.5): 111.20
ACD/KOC (pH 5.5): 1014.38
ACD/LogD (pH 7.4): 2.99
ACD/BCF (pH 7.4): 111.20
ACD/KOC (pH 7.4): 1014.39
Polar Surface Area: 75 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 46.1±3.0 dyne/cm
Molar Volume: 338.2±3.0 cm3

Click to predict properties on the Chemicalize site






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