ChemSpider 2D Image | 1-[(3-Bromo-1,2-oxazol-5-yl)methyl]-3-(3-ethyl-1-methyl-1H-pyrazol-5-yl)urea | C11H14BrN5O2

1-[(3-Bromo-1,2-oxazol-5-yl)methyl]-3-(3-ethyl-1-methyl-1H-pyrazol-5-yl)urea

  • Molecular FormulaC11H14BrN5O2
  • Average mass328.165 Da
  • Monoisotopic mass327.033081 Da
  • ChemSpider ID65036542

More details:

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

1-[(3-Brom-1,2-oxazol-5-yl)methyl]-3-(3-ethyl-1-methyl-1H-pyrazol-5-yl)harnstoff [German] [ACD/IUPAC Name]
1-[(3-Bromo-1,2-oxazol-5-yl)methyl]-3-(3-ethyl-1-methyl-1H-pyrazol-5-yl)urea [ACD/IUPAC Name]
1-[(3-Bromo-1,2-oxazol-5-yl)méthyl]-3-(3-éthyl-1-méthyl-1H-pyrazol-5-yl)urée [French] [ACD/IUPAC Name]
Urea, N-[(3-bromo-5-isoxazolyl)methyl]-N'-(3-ethyl-1-methyl-1H-pyrazol-5-yl)- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 487.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.3±3.0 kJ/mol
Flash Point: 248.5±28.7 °C
Index of Refraction: 1.672
Molar Refractivity: 73.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.13
ACD/LogD (pH 5.5): 1.55
ACD/BCF (pH 5.5): 8.86
ACD/KOC (pH 5.5): 165.73
ACD/LogD (pH 7.4): 1.55
ACD/BCF (pH 7.4): 8.89
ACD/KOC (pH 7.4): 166.32
Polar Surface Area: 85 Å2
Polarizability: 29.2±0.5 10-24cm3
Surface Tension: 54.8±7.0 dyne/cm
Molar Volume: 197.0±7.0 cm3

Click to predict properties on the Chemicalize site


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