ChemSpider 2D Image | 5-[(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole | C18H11F3N4O2

5-[(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

  • Molecular FormulaC18H11F3N4O2
  • Average mass372.301 Da
  • Monoisotopic mass372.083405 Da
  • ChemSpider ID27307505

More details:






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

1,2,4-Oxadiazole, 5-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-[3-(trifluoromethyl)phenyl]- [ACD/Index Name]
5-[(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-[3-(trifluormethyl)phenyl]-1,2,4-oxadiazol [German] [ACD/IUPAC Name]
5-[(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole [ACD/IUPAC Name]
5-[(5-Phényl-1,3,4-oxadiazol-2-yl)méthyl]-3-[3-(trifluorométhyl)phényl]-1,2,4-oxadiazole [French] [ACD/IUPAC Name]
5-(5-Phenyl-[1,3,4]oxadiazol-2-ylmethyl)-3-(3-trifluoromethyl-phenyl)-[1,2,4]oxadiazole

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 513.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 75.5±3.0 kJ/mol
Flash Point: 264.4±32.9 °C
Index of Refraction: 1.552
Molar Refractivity: 86.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.82
ACD/LogD (pH 5.5): 3.63
ACD/BCF (pH 5.5): 337.59
ACD/KOC (pH 5.5): 2246.08
ACD/LogD (pH 7.4): 3.63
ACD/BCF (pH 7.4): 337.59
ACD/KOC (pH 7.4): 2246.08
Polar Surface Area: 78 Å2
Polarizability: 34.4±0.5 10-24cm3
Surface Tension: 46.0±3.0 dyne/cm
Molar Volume: 271.4±3.0 cm3

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