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Search term: NPQYMTZKUKGKTD (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 5-(3-Phenyl-1H-pyrazol-4-yl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole | C18H11F3N4O2

5-(3-Phenyl-1H-pyrazol-4-yl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole

  • Molecular FormulaC18H11F3N4O2
  • Average mass372.301 Da
  • Monoisotopic mass372.083405 Da
  • ChemSpider ID34496244

More details:

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

1,2,4-Oxadiazole, 5-(3-phenyl-1H-pyrazol-4-yl)-3-[4-(trifluoromethoxy)phenyl]- [ACD/Index Name]
5-(3-Phenyl-1H-pyrazol-4-yl)-3-[4-(trifluormethoxy)phenyl]-1,2,4-oxadiazol [German] [ACD/IUPAC Name]
5-(3-Phenyl-1H-pyrazol-4-yl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole [ACD/IUPAC Name]
5-(3-Phényl-1H-pyrazol-4-yl)-3-[4-(trifluorométhoxy)phényl]-1,2,4-oxadiazole [French] [ACD/IUPAC Name]
2034236-39-8 [RN]
5-(3-phenyl-1H-pyrazol-4-yl)-3-(4-(trifluoromethoxy)phenyl)-1,2,4-oxadiazole

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

Density: 1.4±0.1 g/cm3
Boiling Point: 547.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.6±3.0 kJ/mol
Flash Point: 284.9±32.9 °C
Index of Refraction: 1.576
Molar Refractivity: 88.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.48
ACD/LogD (pH 5.5): 4.34
ACD/BCF (pH 5.5): 1160.56
ACD/KOC (pH 5.5): 5435.80
ACD/LogD (pH 7.4): 4.33
ACD/BCF (pH 7.4): 1143.16
ACD/KOC (pH 7.4): 5354.32
Polar Surface Area: 77 Å2
Polarizability: 35.0±0.5 10-24cm3
Surface Tension: 48.6±3.0 dyne/cm
Molar Volume: 266.5±3.0 cm3

Click to predict properties on the Chemicalize site


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