ChemSpider 2D Image | 5-[4-(3-Chlorophenyl)-1-piperazinyl]-2-(2-cyclohexylethyl)-1,3-oxazole-4-carbonitrile | C22H27ClN4O

5-[4-(3-Chlorophenyl)-1-piperazinyl]-2-(2-cyclohexylethyl)-1,3-oxazole-4-carbonitrile

  • Molecular FormulaC22H27ClN4O
  • Average mass398.929 Da
  • Monoisotopic mass398.187347 Da
  • ChemSpider ID30807513

More details:

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

4-Oxazolecarbonitrile, 5-[4-(3-chlorophenyl)-1-piperazinyl]-2-(2-cyclohexylethyl)- [ACD/Index Name]
5-[4-(3-Chlorophenyl)-1-piperazinyl]-2-(2-cyclohexylethyl)-1,3-oxazole-4-carbonitrile [ACD/IUPAC Name]
5-[4-(3-Chlorophényl)-1-pipérazinyl]-2-(2-cyclohexyléthyl)-1,3-oxazole-4-carbonitrile [French] [ACD/IUPAC Name]
5-[4-(3-Chlorphenyl)-1-piperazinyl]-2-(2-cyclohexylethyl)-1,3-oxazol-4-carbonitril [German] [ACD/IUPAC Name]
1797134-78-1 [RN]
5-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-cyclohexylethyl)-1,3-oxazole-4-carbonitrile

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

Density: 1.3±0.1 g/cm3
Boiling Point: 585.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.4±3.0 kJ/mol
Flash Point: 307.6±30.1 °C
Index of Refraction: 1.613
Molar Refractivity: 110.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.93
ACD/LogD (pH 5.5): 4.61
ACD/BCF (pH 5.5): 1889.56
ACD/KOC (pH 5.5): 7683.33
ACD/LogD (pH 7.4): 4.62
ACD/BCF (pH 7.4): 1908.80
ACD/KOC (pH 7.4): 7761.57
Polar Surface Area: 56 Å2
Polarizability: 43.8±0.5 10-24cm3
Surface Tension: 60.5±5.0 dyne/cm
Molar Volume: 316.9±5.0 cm3

Click to predict properties on the Chemicalize site


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