ChemSpider 2D Image | 1-[3-(5-Chloro-3-methyl-1,2-oxazol-4-yl)propanoyl]-N-(3-fluoro-4-methylbenzyl)-4-piperidinecarboxamide | C21H25ClFN3O3

1-[3-(5-Chloro-3-methyl-1,2-oxazol-4-yl)propanoyl]-N-(3-fluoro-4-methylbenzyl)-4-piperidinecarboxamide

  • Molecular FormulaC21H25ClFN3O3
  • Average mass421.893 Da
  • Monoisotopic mass421.156860 Da
  • ChemSpider ID34404566

More details:

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

1-[3-(5-Chlor-3-methyl-1,2-oxazol-4-yl)propanoyl]-N-(3-fluor-4-methylbenzyl)-4-piperidincarboxamid [German] [ACD/IUPAC Name]
1-[3-(5-Chloro-3-methyl-1,2-oxazol-4-yl)propanoyl]-N-(3-fluoro-4-methylbenzyl)-4-piperidinecarboxamide [ACD/IUPAC Name]
1-[3-(5-Chloro-3-méthyl-1,2-oxazol-4-yl)propanoyl]-N-(3-fluoro-4-méthylbenzyl)-4-pipéridinecarboxamide [French] [ACD/IUPAC Name]
4-Piperidinecarboxamide, 1-[3-(5-chloro-3-methyl-4-isoxazolyl)-1-oxopropyl]-N-[(3-fluoro-4-methylphenyl)methyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 672.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.8±3.0 kJ/mol
Flash Point: 360.5±31.5 °C
Index of Refraction: 1.560
Molar Refractivity: 107.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.69
ACD/LogD (pH 5.5): 3.69
ACD/BCF (pH 5.5): 377.58
ACD/KOC (pH 5.5): 2433.45
ACD/LogD (pH 7.4): 3.69
ACD/BCF (pH 7.4): 377.58
ACD/KOC (pH 7.4): 2433.45
Polar Surface Area: 75 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 50.4±3.0 dyne/cm
Molar Volume: 331.5±3.0 cm3

Click to predict properties on the Chemicalize site


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