ChemSpider 2D Image | 1-(5-Isopropyl-1,2-oxazol-3-yl)-3-[2-(4-nitro-1H-pyrazol-1-yl)ethyl]urea | C12H16N6O4

1-(5-Isopropyl-1,2-oxazol-3-yl)-3-[2-(4-nitro-1H-pyrazol-1-yl)ethyl]urea

  • Molecular FormulaC12H16N6O4
  • Average mass308.293 Da
  • Monoisotopic mass308.123291 Da
  • ChemSpider ID29806938

More details:






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

1-(5-Isopropyl-1,2-oxazol-3-yl)-3-[2-(4-nitro-1H-pyrazol-1-yl)ethyl]harnstoff [German] [ACD/IUPAC Name]
1-(5-Isopropyl-1,2-oxazol-3-yl)-3-[2-(4-nitro-1H-pyrazol-1-yl)ethyl]urea [ACD/IUPAC Name]
1-(5-Isopropyl-1,2-oxazol-3-yl)-3-[2-(4-nitro-1H-pyrazol-1-yl)éthyl]urée [French] [ACD/IUPAC Name]
Urea, N-[5-(1-methylethyl)-3-isoxazolyl]-N'-[2-(4-nitro-1H-pyrazol-1-yl)ethyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 493.4±45.0 °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: 252.2±28.7 °C
Index of Refraction: 1.665
Molar Refractivity: 76.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 0.84
ACD/LogD (pH 5.5): 1.43
ACD/BCF (pH 5.5): 7.26
ACD/KOC (pH 5.5): 143.85
ACD/LogD (pH 7.4): 1.43
ACD/BCF (pH 7.4): 7.26
ACD/KOC (pH 7.4): 143.84
Polar Surface Area: 131 Å2
Polarizability: 30.3±0.5 10-24cm3
Surface Tension: 61.5±7.0 dyne/cm
Molar Volume: 205.8±7.0 cm3

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