ChemSpider 2D Image | (4R)-1-(3,3-Dimethylbutanoyl)-4-hydroxy-N-[4-(1,3-oxazol-5-yl)benzyl]-L-prolinamide | C21H27N3O4

(4R)-1-(3,3-Dimethylbutanoyl)-4-hydroxy-N-[4-(1,3-oxazol-5-yl)benzyl]-L-prolinamide

  • Molecular FormulaC21H27N3O4
  • Average mass385.457 Da
  • Monoisotopic mass385.200165 Da
  • ChemSpider ID35035177

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4R)-1-(3,3-Dimethylbutanoyl)-4-hydroxy-N-[4-(1,3-oxazol-5-yl)benzyl]-L-prolinamid [German] [ACD/IUPAC Name]
(4R)-1-(3,3-Dimethylbutanoyl)-4-hydroxy-N-[4-(1,3-oxazol-5-yl)benzyl]-L-prolinamide [ACD/IUPAC Name]
(4R)-1-(3,3-Diméthylbutanoyl)-4-hydroxy-N-[4-(1,3-oxazol-5-yl)benzyl]-L-prolinamide [French] [ACD/IUPAC Name]
2-Pyrrolidinecarboxamide, 1-(3,3-dimethyl-1-oxobutyl)-4-hydroxy-N-[[4-(5-oxazolyl)phenyl]methyl]-, (2S,4R)- [ACD/Index Name]
3JG
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL3343404/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 668.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 103.2±3.0 kJ/mol
Flash Point: 358.0±31.5 °C
Index of Refraction: 1.569
Molar Refractivity: 103.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.82
ACD/LogD (pH 5.5): 1.47
ACD/BCF (pH 5.5): 7.69
ACD/KOC (pH 5.5): 149.87
ACD/LogD (pH 7.4): 1.47
ACD/BCF (pH 7.4): 7.69
ACD/KOC (pH 7.4): 149.87
Polar Surface Area: 96 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 52.7±3.0 dyne/cm
Molar Volume: 316.2±3.0 cm3

Click to predict properties on the Chemicalize site


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