ChemSpider 2D Image | 3-[2-Oxo-2-(4-{5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl}-1-piperazinyl)ethyl]-1,3-benzoxazol-2(3H)-one | C21H17F3N6O4

3-[2-Oxo-2-(4-{5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl}-1-piperazinyl)ethyl]-1,3-benzoxazol-2(3H)-one

  • Molecular FormulaC21H17F3N6O4
  • Average mass474.393 Da
  • Monoisotopic mass474.126343 Da
  • ChemSpider ID39239483

More details:

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

2(3H)-Benzoxazolone, 3-[2-oxo-2-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-1-piperazinyl]ethyl]- [ACD/Index Name]
3-[2-Oxo-2-(4-{5-[5-(trifluormethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl}-1-piperazinyl)ethyl]-1,3-benzoxazol-2(3H)-on [German] [ACD/IUPAC Name]
3-[2-Oxo-2-(4-{5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl}-1-piperazinyl)ethyl]-1,3-benzoxazol-2(3H)-one [ACD/IUPAC Name]
3-[2-Oxo-2-(4-{5-[5-(trifluorométhyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl}-1-pipérazinyl)éthyl]-1,3-benzoxazol-2(3H)-one [French] [ACD/IUPAC Name]
3-(2-oxo-2-(4-(5-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)pyridin-2-yl)piperazin-1-yl)ethyl)benzo[d]oxazol-2(3H)-one

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

Density: 1.5±0.1 g/cm3
Boiling Point: 649.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.7±3.0 kJ/mol
Flash Point: 346.3±34.3 °C
Index of Refraction: 1.593
Molar Refractivity: 107.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 3.13
ACD/LogD (pH 5.5): 2.25
ACD/BCF (pH 5.5): 29.59
ACD/KOC (pH 5.5): 385.60
ACD/LogD (pH 7.4): 2.28
ACD/BCF (pH 7.4): 31.67
ACD/KOC (pH 7.4): 412.77
Polar Surface Area: 105 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 59.1±3.0 dyne/cm
Molar Volume: 318.4±3.0 cm3

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