ChemSpider 2D Image | 3-[4-(Methylsulfonyl)phenyl]-5-(1-Boc-4-piperidyl)-1,2,4-oxadiazole | C19H25N3O5S

3-[4-(Methylsulfonyl)phenyl]-5-(1-Boc-4-piperidyl)-1,2,4-oxadiazole

  • Molecular FormulaC19H25N3O5S
  • Average mass407.484 Da
  • Monoisotopic mass407.151489 Da
  • ChemSpider ID26403774

More details:

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

1272756-23-6 [RN]
1-Piperidinecarboxylic acid, 4-[3-[4-(methylsulfonyl)phenyl]-1,2,4-oxadiazol-5-yl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-{3-[4-(methylsulfonyl)phenyl]-1,2,4-oxadiazol-5-yl}-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-{3-[4-(methylsulfonyl)phenyl]-1,2,4-oxadiazol-5-yl}-1-piperidincarboxylat [German] [ACD/IUPAC Name]
3-[4-(Methylsulfonyl)phenyl]-5-(1-Boc-4-piperidyl)-1,2,4-oxadiazole
4-{3-[4-(Méthylsulfonyl)phényl]-1,2,4-oxadiazol-5-yl}-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
[1272756-23-6] [RN]
3-Ethoxyphenylboronic acid pinacol ester
81465-82-9 [RN]
MFCD18651706 [MDL number]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 582.2±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 87.0±3.0 kJ/mol
    Flash Point: 305.9±32.9 °C
    Index of Refraction: 1.546
    Molar Refractivity: 103.0±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.34
    ACD/LogD (pH 5.5): 2.61
    ACD/BCF (pH 5.5): 56.84
    ACD/KOC (pH 5.5): 627.44
    ACD/LogD (pH 7.4): 2.61
    ACD/BCF (pH 7.4): 56.84
    ACD/KOC (pH 7.4): 627.44
    Polar Surface Area: 111 Å2
    Polarizability: 40.8±0.5 10-24cm3
    Surface Tension: 48.3±3.0 dyne/cm
    Molar Volume: 325.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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