ChemSpider 2D Image | 1-Ethyl-3-[(4S)-4-methoxy-1-{1-[3-(2-methyl-2-propanyl)-1,2,4-oxadiazol-5-yl]ethyl}-3-pyrrolidinyl]urea | C16H29N5O3

1-Ethyl-3-[(4S)-4-methoxy-1-{1-[3-(2-methyl-2-propanyl)-1,2,4-oxadiazol-5-yl]ethyl}-3-pyrrolidinyl]urea

  • Molecular FormulaC16H29N5O3
  • Average mass339.433 Da
  • Monoisotopic mass339.227051 Da
  • ChemSpider ID30178548

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

1-Ethyl-3-[(4S)-4-methoxy-1-{1-[3-(2-methyl-2-propanyl)-1,2,4-oxadiazol-5-yl]ethyl}-3-pyrrolidinyl]harnstoff [German] [ACD/IUPAC Name]
1-Ethyl-3-[(4S)-4-methoxy-1-{1-[3-(2-methyl-2-propanyl)-1,2,4-oxadiazol-5-yl]ethyl}-3-pyrrolidinyl]urea [ACD/IUPAC Name]
1-Éthyl-3-[(4S)-4-méthoxy-1-{1-[3-(2-méthyl-2-propanyl)-1,2,4-oxadiazol-5-yl]éthyl}-3-pyrrolidinyl]urée [French] [ACD/IUPAC Name]
Urea, N-[(4S)-1-[1-[3-(1,1-dimethylethyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methoxy-3-pyrrolidinyl]-N'-ethyl- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.526
Molar Refractivity: 90.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.87
ACD/LogD (pH 5.5): 1.05
ACD/BCF (pH 5.5): 3.28
ACD/KOC (pH 5.5): 70.49
ACD/LogD (pH 7.4): 1.27
ACD/BCF (pH 7.4): 5.41
ACD/KOC (pH 7.4): 116.22
Polar Surface Area: 93 Å2
Polarizability: 35.9±0.5 10-24cm3
Surface Tension: 48.3±5.0 dyne/cm
Molar Volume: 295.1±5.0 cm3

Click to predict properties on the Chemicalize site


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