ChemSpider 2D Image | 5-[(2,4-Difluorophenoxy)methyl]-N-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethyl}-1,2-oxazole-3-carboxamide | C16H15F2N5O3S

5-[(2,4-Difluorophenoxy)methyl]-N-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethyl}-1,2-oxazole-3-carboxamide

  • Molecular FormulaC16H15F2N5O3S
  • Average mass395.384 Da
  • Monoisotopic mass395.086365 Da
  • ChemSpider ID22123233

More details:

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

3-Isoxazolecarboxamide, 5-[(2,4-difluorophenoxy)methyl]-N-[2-[(4-methyl-4H-1,2,4-triazol-3-yl)thio]ethyl]- [ACD/Index Name]
5-[(2,4-Difluorophenoxy)methyl]-N-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethyl}-1,2-oxazole-3-carboxamide [ACD/IUPAC Name]
5-[(2,4-Difluorophénoxy)méthyl]-N-{2-[(4-méthyl-4H-1,2,4-triazol-3-yl)sulfanyl]éthyl}-1,2-oxazole-3-carboxamide [French] [ACD/IUPAC Name]
5-[(2,4-Difluorphenoxy)methyl]-N-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethyl}-1,2-oxazol-3-carboxamid [German] [ACD/IUPAC Name]
5-[(2,4-difluorophenoxy)methyl]-N-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)thio]ethyl}-3-isoxazolecarboxamide

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: 1.646
Molar Refractivity: 95.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 0.97
ACD/LogD (pH 5.5): 1.63
ACD/BCF (pH 5.5): 10.12
ACD/KOC (pH 5.5): 182.45
ACD/LogD (pH 7.4): 1.63
ACD/BCF (pH 7.4): 10.12
ACD/KOC (pH 7.4): 182.50
Polar Surface Area: 120 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 51.6±7.0 dyne/cm
Molar Volume: 263.9±7.0 cm3

Click to predict properties on the Chemicalize site


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