ChemSpider 2D Image | 1-[(5-Isobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]urea | C13H21N7O2

1-[(5-Isobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]urea

  • Molecular FormulaC13H21N7O2
  • Average mass307.352 Da
  • Monoisotopic mass307.175659 Da
  • ChemSpider ID52616871

More details:

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

1-[(5-Isobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]harnstoff [German] [ACD/IUPAC Name]
1-[(5-Isobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]urea [ACD/IUPAC Name]
1-[(5-Isobutyl-1,2,4-oxadiazol-3-yl)méthyl]-1-méthyl-3-[(5-méthyl-1H-1,2,4-triazol-3-yl)méthyl]urée [French] [ACD/IUPAC Name]
Urea, N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-N'-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]- [ACD/Index Name]
N-[(5-isobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N'-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]urea

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.561
Molar Refractivity: 79.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.35
ACD/LogD (pH 5.5): 0.75
ACD/BCF (pH 5.5): 2.16
ACD/KOC (pH 5.5): 60.12
ACD/LogD (pH 7.4): 0.75
ACD/BCF (pH 7.4): 2.19
ACD/KOC (pH 7.4): 61.03
Polar Surface Area: 113 Å2
Polarizability: 31.6±0.5 10-24cm3
Surface Tension: 57.2±3.0 dyne/cm
Molar Volume: 245.6±3.0 cm3

Click to predict properties on the Chemicalize site


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