ChemSpider 2D Image | 3-{(3S,4R)-1-[3-(3-Chloro-1,2-oxazol-5-yl)propanoyl]-4-isopropyl-3-pyrrolidinyl}-1,1-dimethylurea | C16H25ClN4O3

3-{(3S,4R)-1-[3-(3-Chloro-1,2-oxazol-5-yl)propanoyl]-4-isopropyl-3-pyrrolidinyl}-1,1-dimethylurea

  • Molecular FormulaC16H25ClN4O3
  • Average mass356.848 Da
  • Monoisotopic mass356.161530 Da
  • ChemSpider ID29490331

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3-{(3S,4R)-1-[3-(3-Chlor-1,2-oxazol-5-yl)propanoyl]-4-isopropyl-3-pyrrolidinyl}-1,1-dimethylharnstoff [German] [ACD/IUPAC Name]
3-{(3S,4R)-1-[3-(3-Chloro-1,2-oxazol-5-yl)propanoyl]-4-isopropyl-3-pyrrolidinyl}-1,1-dimethylurea [ACD/IUPAC Name]
3-{(3S,4R)-1-[3-(3-Chloro-1,2-oxazol-5-yl)propanoyl]-4-isopropyl-3-pyrrolidinyl}-1,1-diméthylurée [French] [ACD/IUPAC Name]
Urea, N'-[(3S,4R)-1-[3-(3-chloro-5-isoxazolyl)-1-oxopropyl]-4-(1-methylethyl)-3-pyrrolidinyl]-N,N-dimethyl- [ACD/Index Name]
N'-{(3S*,4R*)-1-[3-(3-chloro-5-isoxazolyl)propanoyl]-4-isopropyl-3-pyrrolidinyl}-N,N-dimethylurea

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

Density: 1.2±0.1 g/cm3
Boiling Point: 592.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.4±3.0 kJ/mol
Flash Point: 312.3±30.1 °C
Index of Refraction: 1.552
Molar Refractivity: 91.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.46
ACD/LogD (pH 5.5): 1.72
ACD/BCF (pH 5.5): 11.87
ACD/KOC (pH 5.5): 204.46
ACD/LogD (pH 7.4): 1.72
ACD/BCF (pH 7.4): 11.87
ACD/KOC (pH 7.4): 204.46
Polar Surface Area: 79 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 51.6±5.0 dyne/cm
Molar Volume: 286.6±5.0 cm3

Click to predict properties on the Chemicalize site


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