ChemSpider 2D Image | 3-(1,2-Oxazol-4-yl)-1,2,4-oxadiazole-5-carbonitrile | C6H2N4O2

3-(1,2-Oxazol-4-yl)-1,2,4-oxadiazole-5-carbonitrile

  • Molecular FormulaC6H2N4O2
  • Average mass162.106 Da
  • Monoisotopic mass162.017776 Da
  • ChemSpider ID74559615

More details:

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

1,2,4-Oxadiazole-5-carbonitrile, 3-(4-isoxazolyl)- [ACD/Index Name]
3-(1,2-Oxazol-4-yl)-1,2,4-oxadiazol-5-carbonitril [German] [ACD/IUPAC Name]
3-(1,2-Oxazol-4-yl)-1,2,4-oxadiazole-5-carbonitrile [ACD/IUPAC Name]
3-(1,2-Oxazol-4-yl)-1,2,4-oxadiazole-5-carbonitrile [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: 373.8±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.1±3.0 kJ/mol
Flash Point: 179.9±28.4 °C
Index of Refraction: 1.580
Molar Refractivity: 34.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.34
ACD/LogD (pH 5.5): -0.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 17.01
ACD/LogD (pH 7.4): -0.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 17.01
Polar Surface Area: 89 Å2
Polarizability: 13.6±0.5 10-24cm3
Surface Tension: 94.3±5.0 dyne/cm
Molar Volume: 103.4±5.0 cm3

Click to predict properties on the Chemicalize site


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