ChemSpider 2D Image | (3S)-N-[(1S)-1-{4-[5-(2-Cyclopentylethyl)-1,2,4-oxadiazol-3-yl]phenyl}ethyl]-3-hydroxy-L-prolinamide | C22H30N4O3

(3S)-N-[(1S)-1-{4-[5-(2-Cyclopentylethyl)-1,2,4-oxadiazol-3-yl]phenyl}ethyl]-3-hydroxy-L-prolinamide

  • Molecular FormulaC22H30N4O3
  • Average mass398.499 Da
  • Monoisotopic mass398.231781 Da
  • ChemSpider ID25068550

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3S)-N-[(1S)-1-{4-[5-(2-Cyclopentylethyl)-1,2,4-oxadiazol-3-yl]phenyl}ethyl]-3-hydroxy-L-prolinamid [German] [ACD/IUPAC Name]
(3S)-N-[(1S)-1-{4-[5-(2-Cyclopentylethyl)-1,2,4-oxadiazol-3-yl]phenyl}ethyl]-3-hydroxy-L-prolinamide [ACD/IUPAC Name]
(3S)-N-[(1S)-1-{4-[5-(2-Cyclopentyléthyl)-1,2,4-oxadiazol-3-yl]phényl}éthyl]-3-hydroxy-L-prolinamide [French] [ACD/IUPAC Name]
2-Pyrrolidinecarboxamide, N-[(1S)-1-[4-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]-3-hydroxy-, (2S,3S)- [ACD/Index Name]
(2S,3S)-N-[(1S)-1-[4-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]-3-hydroxypyrrolidine-2-carboxamide
1218816-71-7 [RN]
CID 46911228
MFCD31382196
sk1-in-1

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

    Density: 1.2±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.571
    Molar Refractivity: 109.0±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 3
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 2.39
    ACD/LogD (pH 5.5): 0.68
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 7.10
    ACD/LogD (pH 7.4): 2.29
    ACD/BCF (pH 7.4): 26.88
    ACD/KOC (pH 7.4): 292.22
    Polar Surface Area: 100 Å2
    Polarizability: 43.2±0.5 10-24cm3
    Surface Tension: 52.4±3.0 dyne/cm
    Molar Volume: 331.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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