ChemSpider 2D Image | N-(1,2-Oxazol-3-ylmethyl)-5-{[3-(trifluoromethyl)phenoxy]methyl}-1H-pyrazole-3-carboxamide | C16H13F3N4O3

N-(1,2-Oxazol-3-ylmethyl)-5-{[3-(trifluoromethyl)phenoxy]methyl}-1H-pyrazole-3-carboxamide

  • Molecular FormulaC16H13F3N4O3
  • Average mass366.295 Da
  • Monoisotopic mass366.093964 Da
  • ChemSpider ID22504277

More details:

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

1H-Pyrazole-3-carboxamide, N-(3-isoxazolylmethyl)-5-[[3-(trifluoromethyl)phenoxy]methyl]- [ACD/Index Name]
N-(1,2-Oxazol-3-ylmethyl)-5-{[3-(trifluormethyl)phenoxy]methyl}-1H-pyrazol-3-carboxamid [German] [ACD/IUPAC Name]
N-(1,2-Oxazol-3-ylmethyl)-5-{[3-(trifluoromethyl)phenoxy]methyl}-1H-pyrazole-3-carboxamide [ACD/IUPAC Name]
N-(1,2-Oxazol-3-ylméthyl)-5-{[3-(trifluorométhyl)phénoxy]méthyl}-1H-pyrazole-3-carboxamide [French] [ACD/IUPAC Name]
N-(3-isoxazolylmethyl)-5-{[3-(trifluoromethyl)phenoxy]methyl}-1H-pyrazole-3-carboxamide

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

Density: 1.4±0.1 g/cm3
Boiling Point: 606.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.2±3.0 kJ/mol
Flash Point: 320.7±31.5 °C
Index of Refraction: 1.565
Molar Refractivity: 83.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.01
ACD/LogD (pH 5.5): 1.81
ACD/BCF (pH 5.5): 13.91
ACD/KOC (pH 5.5): 229.05
ACD/LogD (pH 7.4): 1.81
ACD/BCF (pH 7.4): 13.90
ACD/KOC (pH 7.4): 229.00
Polar Surface Area: 93 Å2
Polarizability: 33.1±0.5 10-24cm3
Surface Tension: 49.7±3.0 dyne/cm
Molar Volume: 256.3±3.0 cm3

Click to predict properties on the Chemicalize site


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