ChemSpider 2D Image | 1-(3-Methoxyphenyl)-3-[(3S,5S)-1-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyrrolidinyl]urea | C16H21N5O3

1-(3-Methoxyphenyl)-3-[(3S,5S)-1-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyrrolidinyl]urea

  • Molecular FormulaC16H21N5O3
  • Average mass331.370 Da
  • Monoisotopic mass331.164429 Da
  • ChemSpider ID21386836

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-(3-Methoxyphenyl)-3-[(3S,5S)-1-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyrrolidinyl]harnstoff [German] [ACD/IUPAC Name]
1-(3-Methoxyphenyl)-3-[(3S,5S)-1-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyrrolidinyl]urea [ACD/IUPAC Name]
1-(3-Méthoxyphényl)-3-[(3S,5S)-1-méthyl-5-(3-méthyl-1,2,4-oxadiazol-5-yl)-3-pyrrolidinyl]urée [French] [ACD/IUPAC Name]
Urea, N-(3-methoxyphenyl)-N'-[(3S,5S)-1-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyrrolidinyl]- [ACD/Index Name]

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: 1.601
Molar Refractivity: 87.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.95
ACD/LogD (pH 5.5): -0.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.49
ACD/LogD (pH 7.4): 0.87
ACD/BCF (pH 7.4): 2.33
ACD/KOC (pH 7.4): 53.34
Polar Surface Area: 93 Å2
Polarizability: 34.7±0.5 10-24cm3
Surface Tension: 61.5±5.0 dyne/cm
Molar Volume: 255.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement