ChemSpider 2D Image | 3-{2-[5-(Hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl}-1-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]urea | C13H20N6O4

3-{2-[5-(Hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl}-1-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]urea

  • Molecular FormulaC13H20N6O4
  • Average mass324.336 Da
  • Monoisotopic mass324.154602 Da
  • ChemSpider ID58849952

More details:

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

3-{2-[5-(Hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl}-1-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]harnstoff [German] [ACD/IUPAC Name]
3-{2-[5-(Hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl}-1-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]urea [ACD/IUPAC Name]
3-{2-[5-(Hydroxyméthyl)-1,2,4-oxadiazol-3-yl]éthyl}-1-méthyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)méthyl]urée [French] [ACD/IUPAC Name]
Urea, N'-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]- [ACD/Index Name]
N'-{2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl}-N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]urea

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.553
Molar Refractivity: 79.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: -0.38
ACD/LogD (pH 5.5): -0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 16.78
ACD/LogD (pH 7.4): -0.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 16.78
Polar Surface Area: 130 Å2
Polarizability: 31.4±0.5 10-24cm3
Surface Tension: 60.1±3.0 dyne/cm
Molar Volume: 247.3±3.0 cm3

Click to predict properties on the Chemicalize site


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