ChemSpider 2D Image | 4-(1,3-Benzoxazol-2-ylmethyl)-3-(4-nitrophenyl)-1,2,4-oxadiazol-5(4H)-one | C16H10N4O5

4-(1,3-Benzoxazol-2-ylmethyl)-3-(4-nitrophenyl)-1,2,4-oxadiazol-5(4H)-one

  • Molecular FormulaC16H10N4O5
  • Average mass338.274 Da
  • Monoisotopic mass338.065125 Da
  • ChemSpider ID30209862

More details:

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

1,2,4-Oxadiazol-5(4H)-one, 4-(2-benzoxazolylmethyl)-3-(4-nitrophenyl)- [ACD/Index Name]
4-(1,3-Benzoxazol-2-ylmethyl)-3-(4-nitrophenyl)-1,2,4-oxadiazol-5(4H)-on [German] [ACD/IUPAC Name]
4-(1,3-Benzoxazol-2-ylmethyl)-3-(4-nitrophenyl)-1,2,4-oxadiazol-5(4H)-one [ACD/IUPAC Name]
4-(1,3-Benzoxazol-2-ylméthyl)-3-(4-nitrophényl)-1,2,4-oxadiazol-5(4H)-one [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 493.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.1±3.0 kJ/mol
Flash Point: 252.3±31.5 °C
Index of Refraction: 1.740
Molar Refractivity: 85.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.78
ACD/LogD (pH 5.5): 2.21
ACD/BCF (pH 5.5): 28.36
ACD/KOC (pH 5.5): 381.42
ACD/LogD (pH 7.4): 2.21
ACD/BCF (pH 7.4): 28.36
ACD/KOC (pH 7.4): 381.45
Polar Surface Area: 114 Å2
Polarizability: 33.9±0.5 10-24cm3
Surface Tension: 71.4±7.0 dyne/cm
Molar Volume: 211.9±7.0 cm3

Click to predict properties on the Chemicalize site


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