ChemSpider 2D Image | 3-(3,5-Dimethyl-4-{[3-(3-methyl-1,2-oxazol-5-yl)(1,1,2,2-~2~H_4_)propyl]oxy}phenyl)-5-(trifluoromethyl)-1,2,4-oxadiazole | C18H14D4F3N3O3

3-(3,5-Dimethyl-4-{[3-(3-methyl-1,2-oxazol-5-yl)(1,1,2,2-2H4)propyl]oxy}phenyl)-5-(trifluoromethyl)-1,2,4-oxadiazole

  • Molecular FormulaC18H14D4F3N3O3
  • Average mass385.374 Da
  • Monoisotopic mass385.155121 Da
  • ChemSpider ID110404660

  • Non-standard isotope - Non-standard isotope

More details:

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

1,2,4-Oxadiazole, 3-[3,5-dimethyl-4-[[3-(3-methyl-5-isoxazolyl)propyl-1,1,2,2-d4]oxy]phenyl]-5-(trifluoromethyl)- [ACD/Index Name]
3-(3,5-Dimethyl-4-{[3-(3-methyl-1,2-oxazol-5-yl)(1,1,2,2-2H4)propyl]oxy}phenyl)-5-(trifluormethyl)-1,2,4-oxadiazol [German] [ACD/IUPAC Name]
3-(3,5-Dimethyl-4-{[3-(3-methyl-1,2-oxazol-5-yl)(1,1,2,2-2H4)propyl]oxy}phenyl)-5-(trifluoromethyl)-1,2,4-oxadiazole [ACD/IUPAC Name]
3-(3,5-Diméthyl-4-{[3-(3-méthyl-1,2-oxazol-5-yl)(1,1,2,2-2H4)propyl]oxy}phényl)-5-(trifluorométhyl)-1,2,4-oxadiazole [French] [ACD/IUPAC 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: 481.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 71.7±3.0 kJ/mol
Flash Point: 244.8±31.5 °C
Index of Refraction: 1.509
Molar Refractivity: 89.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.77
ACD/LogD (pH 5.5): 4.34
ACD/BCF (pH 5.5): 1174.28
ACD/KOC (pH 5.5): 5482.04
ACD/LogD (pH 7.4): 4.34
ACD/BCF (pH 7.4): 1174.28
ACD/KOC (pH 7.4): 5482.04
Polar Surface Area: 74 Å2
Polarizability: 35.5±0.5 10-24cm3
Surface Tension: 39.0±3.0 dyne/cm
Molar Volume: 300.0±3.0 cm3

Click to predict properties on the Chemicalize site


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