ChemSpider 2D Image | 4-[4-(5-Fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl]-4-oxo-N-(4-pyridinyl)butanamide | C21H21FN4O3

4-[4-(5-Fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl]-4-oxo-N-(4-pyridinyl)butanamide

  • Molecular FormulaC21H21FN4O3
  • Average mass396.415 Da
  • Monoisotopic mass396.159760 Da
  • ChemSpider ID26037730

More details:






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

1-Piperidinebutanamide, 4-(5-fluoro-1,2-benzisoxazol-3-yl)-γ-oxo-N-4-pyridinyl- [ACD/Index Name]
4-[4-(5-Fluor-1,2-benzoxazol-3-yl)-1-piperidinyl]-4-oxo-N-(4-pyridinyl)butanamid [German] [ACD/IUPAC Name]
4-[4-(5-Fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl]-4-oxo-N-(4-pyridinyl)butanamide [ACD/IUPAC Name]
4-[4-(5-Fluoro-1,2-benzoxazol-3-yl)-1-pipéridinyl]-4-oxo-N-(4-pyridinyl)butanamide [French] [ACD/IUPAC Name]
1219548-42-1 [RN]
4-[4-(5-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]-4-oxo-N-4-pyridinylbutanamide
4-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-4-oxo-N-(pyridin-4-yl)butanamide
4-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-4-oxo-N-pyridin-4-ylbutanamide
4-[4-(5-Fluoro-benzo[d]isoxazol-3-yl)-piperidin-1-yl]-4-oxo-N-pyridin-4-yl-butyramide

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 693.1±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 101.5±3.0 kJ/mol
    Flash Point: 373.0±31.5 °C
    Index of Refraction: 1.632
    Molar Refractivity: 105.1±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.42
    ACD/LogD (pH 5.5): 1.37
    ACD/BCF (pH 5.5): 4.50
    ACD/KOC (pH 5.5): 65.88
    ACD/LogD (pH 7.4): 2.03
    ACD/BCF (pH 7.4): 20.14
    ACD/KOC (pH 7.4): 294.76
    Polar Surface Area: 88 Å2
    Polarizability: 41.7±0.5 10-24cm3
    Surface Tension: 63.1±3.0 dyne/cm
    Molar Volume: 294.5±3.0 cm3

    Click to predict properties on the Chemicalize site






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