ChemSpider 2D Image | 1-(1,4-Dioxan-2-ylmethyl)-1-methyl-3-{[3-(2-methyl-2-propanyl)-1,2,4-oxadiazol-5-yl]methyl}urea | C14H24N4O4

1-(1,4-Dioxan-2-ylmethyl)-1-methyl-3-{[3-(2-methyl-2-propanyl)-1,2,4-oxadiazol-5-yl]methyl}urea

  • Molecular FormulaC14H24N4O4
  • Average mass312.365 Da
  • Monoisotopic mass312.179749 Da
  • ChemSpider ID58201740

More details:






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

1-(1,4-Dioxan-2-ylmethyl)-1-methyl-3-{[3-(2-methyl-2-propanyl)-1,2,4-oxadiazol-5-yl]methyl}harnstoff [German] [ACD/IUPAC Name]
1-(1,4-Dioxan-2-ylmethyl)-1-methyl-3-{[3-(2-methyl-2-propanyl)-1,2,4-oxadiazol-5-yl]methyl}urea [ACD/IUPAC Name]
1-(1,4-Dioxan-2-ylméthyl)-1-méthyl-3-{[3-(2-méthyl-2-propanyl)-1,2,4-oxadiazol-5-yl]méthyl}urée [French] [ACD/IUPAC Name]
Urea, N'-[[3-(1,1-dimethylethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1,4-dioxan-2-ylmethyl)-N-methyl- [ACD/Index Name]
N'-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-(1,4-dioxan-2-ylmethyl)-N-methylurea

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.499
Molar Refractivity: 79.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.43
ACD/LogD (pH 5.5): 0.84
ACD/BCF (pH 5.5): 2.57
ACD/KOC (pH 5.5): 68.33
ACD/LogD (pH 7.4): 0.84
ACD/BCF (pH 7.4): 2.57
ACD/KOC (pH 7.4): 68.31
Polar Surface Area: 90 Å2
Polarizability: 31.3±0.5 10-24cm3
Surface Tension: 44.4±3.0 dyne/cm
Molar Volume: 268.9±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement