ChemSpider 2D Image | 3-{3,5-Bis[(~2~H_3_)methyl]-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl}-5-(trifluoromethyl)-1,2,4-oxadiazole | C18H12D6F3N3O3

3-{3,5-Bis[(2H3)methyl]-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl}-5-(trifluoromethyl)-1,2,4-oxadiazole

  • Molecular FormulaC18H12D6F3N3O3
  • Average mass387.386 Da
  • Monoisotopic mass387.167694 Da
  • ChemSpider ID110404659

  • 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-di(methyl-d3)-4-[3-(3-methyl-5-isoxazolyl)propoxy]phenyl]-5-(trifluoromethyl)- [ACD/Index Name]
3-{3,5-Bis[(2H3)methyl]-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl}-5-(trifluormethyl)-1,2,4-oxadiazol [German] [ACD/IUPAC Name]
3-{3,5-Bis[(2H3)methyl]-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl}-5-(trifluoromethyl)-1,2,4-oxadiazole [ACD/IUPAC Name]
3-{3,5-Bis[(2H3)méthyl]-4-[3-(3-méthyl-1,2-oxazol-5-yl)propoxy]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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