ChemSpider 2D Image | 2-[({3-[4-(Trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]-1,3-benzoxazole | C17H10F3N3O2S

2-[({3-[4-(Trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]-1,3-benzoxazole

  • Molecular FormulaC17H10F3N3O2S
  • Average mass377.340 Da
  • Monoisotopic mass377.044586 Da
  • ChemSpider ID22549599

More details:

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

2-[({3-[4-(Trifluormethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]-1,3-benzoxazol [German] [ACD/IUPAC Name]
2-[({3-[4-(Trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]-1,3-benzoxazole [ACD/IUPAC Name]
2-[({3-[4-(Trifluorométhyl)phényl]-1,2,4-oxadiazol-5-yl}méthyl)sulfanyl]-1,3-benzoxazole [French] [ACD/IUPAC Name]
Benzoxazole, 2-[[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]thio]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 489.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 72.7±3.0 kJ/mol
Flash Point: 249.9±31.5 °C
Index of Refraction: 1.643
Molar Refractivity: 89.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.03
ACD/LogD (pH 5.5): 4.82
ACD/BCF (pH 5.5): 2726.55
ACD/KOC (pH 5.5): 10018.57
ACD/LogD (pH 7.4): 4.82
ACD/BCF (pH 7.4): 2726.59
ACD/KOC (pH 7.4): 10018.73
Polar Surface Area: 90 Å2
Polarizability: 35.6±0.5 10-24cm3
Surface Tension: 65.6±5.0 dyne/cm
Molar Volume: 248.0±5.0 cm3

Click to predict properties on the Chemicalize site


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