ChemSpider 2D Image | 1-Methyl-3-(1-propyl-1H-1,2,3-triazol-4-yl)-1-{[3-(2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl}urea | C15H18N8O2

1-Methyl-3-(1-propyl-1H-1,2,3-triazol-4-yl)-1-{[3-(2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl}urea

  • Molecular FormulaC15H18N8O2
  • Average mass342.356 Da
  • Monoisotopic mass342.155273 Da
  • ChemSpider ID52601476

More details:

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

1-Methyl-3-(1-propyl-1H-1,2,3-triazol-4-yl)-1-{[3-(2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl}harnstoff [German] [ACD/IUPAC Name]
1-Methyl-3-(1-propyl-1H-1,2,3-triazol-4-yl)-1-{[3-(2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl}urea [ACD/IUPAC Name]
1-Méthyl-3-(1-propyl-1H-1,2,3-triazol-4-yl)-1-{[3-(2-pyridinyl)-1,2,4-oxadiazol-5-yl]méthyl}urée [French] [ACD/IUPAC Name]
Urea, N-methyl-N'-(1-propyl-1H-1,2,3-triazol-4-yl)-N-[[3-(2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]- [ACD/Index Name]
N-methyl-N'-(1-propyl-1H-1,2,3-triazol-4-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.692
Molar Refractivity: 92.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 0.15
ACD/LogD (pH 5.5): 0.99
ACD/BCF (pH 5.5): 3.34
ACD/KOC (pH 5.5): 82.46
ACD/LogD (pH 7.4): 0.99
ACD/BCF (pH 7.4): 3.34
ACD/KOC (pH 7.4): 82.42
Polar Surface Area: 115 Å2
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 58.8±7.0 dyne/cm
Molar Volume: 240.4±7.0 cm3

Click to predict properties on the Chemicalize site


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