ChemSpider 2D Image | 1-[(4-Fluorophenyl)acetyl]-N-(5-methyl-1,2-oxazol-3-yl)-L-prolinamide | C17H18FN3O3

1-[(4-Fluorophenyl)acetyl]-N-(5-methyl-1,2-oxazol-3-yl)-L-prolinamide

  • Molecular FormulaC17H18FN3O3
  • Average mass331.341 Da
  • Monoisotopic mass331.133209 Da
  • ChemSpider ID22886146

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-[(4-Fluorophenyl)acetyl]-N-(5-methyl-1,2-oxazol-3-yl)-L-prolinamide [ACD/IUPAC Name]
1-[(4-Fluorphenyl)acetyl]-N-(5-methyl-1,2-oxazol-3-yl)-L-prolinamid [German] [ACD/IUPAC Name]
1-[2-(4-Fluorophényl)acétyl]-N-(5-méthyl-1,2-oxazol-3-yl)-L-prolinamide [French] [ACD/IUPAC Name]
2-Pyrrolidinecarboxamide, 1-[2-(4-fluorophenyl)acetyl]-N-(5-methyl-3-isoxazolyl)-, (2S)- [ACD/Index Name]
(2S)-1-[2-(4-fluorophenyl)acetyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
1134385-21-9 [RN]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 605.9±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 90.1±3.0 kJ/mol
    Flash Point: 320.3±31.5 °C
    Index of Refraction: 1.602
    Molar Refractivity: 84.7±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 0.74
    ACD/LogD (pH 5.5): 1.75
    ACD/BCF (pH 5.5): 12.66
    ACD/KOC (pH 5.5): 214.16
    ACD/LogD (pH 7.4): 1.75
    ACD/BCF (pH 7.4): 12.66
    ACD/KOC (pH 7.4): 214.15
    Polar Surface Area: 75 Å2
    Polarizability: 33.6±0.5 10-24cm3
    Surface Tension: 60.3±3.0 dyne/cm
    Molar Volume: 246.8±3.0 cm3

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