ChemSpider 2D Image | 3-(4-Fluorophenyl)-5-methyl-N-(3-{4-[2-(pentafluoroethoxy)phenyl]-1-piperazinyl}propyl)-1,2-oxazole-4-carboxamide | C26H26F6N4O3

3-(4-Fluorophenyl)-5-methyl-N-(3-{4-[2-(pentafluoroethoxy)phenyl]-1-piperazinyl}propyl)-1,2-oxazole-4-carboxamide

  • Molecular FormulaC26H26F6N4O3
  • Average mass556.500 Da
  • Monoisotopic mass556.190918 Da
  • ChemSpider ID8004892

More details:

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

3-(4-Fluorophenyl)-5-methyl-N-(3-{4-[2-(pentafluoroethoxy)phenyl]-1-piperazinyl}propyl)-1,2-oxazole-4-carboxamide [ACD/IUPAC Name]
3-(4-Fluorophényl)-5-méthyl-N-(3-{4-[2-(pentafluoroéthoxy)phényl]-1-pipérazinyl}propyl)-1,2-oxazole-4-carboxamide [French] [ACD/IUPAC Name]
3-(4-Fluorphenyl)-5-methyl-N-(3-{4-[2-(pentafluorethoxy)phenyl]-1-piperazinyl}propyl)-1,2-oxazol-4-carboxamid [German] [ACD/IUPAC Name]
4-Isoxazolecarboxamide, 3-(4-fluorophenyl)-5-methyl-N-[3-[4-[2-(1,1,2,2,2-pentafluoroethoxy)phenyl]-1-piperazinyl]propyl]- [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: 605.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.0±3.0 kJ/mol
Flash Point: 319.9±31.5 °C
Index of Refraction: 1.525
Molar Refractivity: 129.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.16
ACD/LogD (pH 5.5): 2.86
ACD/BCF (pH 5.5): 37.65
ACD/KOC (pH 5.5): 169.99
ACD/LogD (pH 7.4): 4.25
ACD/BCF (pH 7.4): 916.51
ACD/KOC (pH 7.4): 4137.79
Polar Surface Area: 71 Å2
Polarizability: 51.2±0.5 10-24cm3
Surface Tension: 40.1±3.0 dyne/cm
Molar Volume: 421.2±3.0 cm3

Click to predict properties on the Chemicalize site


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