ChemSpider 2D Image | 5-[(3,5-Dimethyl-1-piperidinyl)methyl]-2-(3-iodophenyl)-1,3-benzoxazole | C21H23IN2O

5-[(3,5-Dimethyl-1-piperidinyl)methyl]-2-(3-iodophenyl)-1,3-benzoxazole

  • Molecular FormulaC21H23IN2O
  • Average mass446.325 Da
  • Monoisotopic mass446.085510 Da
  • ChemSpider ID35503665

More details:

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

1706430-26-3 [RN]
5-[(3,5-Dimethyl-1-piperidinyl)methyl]-2-(3-iodophenyl)-1,3-benzoxazole [ACD/IUPAC Name]
5-[(3,5-Diméthyl-1-pipéridinyl)méthyl]-2-(3-iodophényl)-1,3-benzoxazole [French] [ACD/IUPAC Name]
5-[(3,5-Dimethyl-1-piperidinyl)methyl]-2-(3-iodphenyl)-1,3-benzoxazol [German] [ACD/IUPAC Name]
Benzoxazole, 5-[(3,5-dimethyl-1-piperidinyl)methyl]-2-(3-iodophenyl)- [ACD/Index Name]
5-(3,5-Dimethyl-piperidin-1-ylmethyl)-2-(3-iodo-phenyl)-benzooxazole
5-[(3,5-dimethylpiperidin-1-yl)methyl]-2-(3-iodophenyl)-1,3-benzoxazole
AKOS025131951
MFCD28103018

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 481.7±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 74.7±3.0 kJ/mol
    Flash Point: 245.2±24.6 °C
    Index of Refraction: 1.626
    Molar Refractivity: 110.9±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 1
    ACD/LogP: 6.76
    ACD/LogD (pH 5.5): 2.79
    ACD/BCF (pH 5.5): 14.73
    ACD/KOC (pH 5.5): 33.46
    ACD/LogD (pH 7.4): 4.01
    ACD/BCF (pH 7.4): 243.21
    ACD/KOC (pH 7.4): 552.35
    Polar Surface Area: 29 Å2
    Polarizability: 44.0±0.5 10-24cm3
    Surface Tension: 46.6±3.0 dyne/cm
    Molar Volume: 313.3±3.0 cm3

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