ChemSpider 2D Image | 5-(4-Phenyl-1-piperazinyl)-2-[(4-phenyl-1-piperazinyl)methyl]-1,3-oxazole-4-carbonitrile | C25H28N6O

5-(4-Phenyl-1-piperazinyl)-2-[(4-phenyl-1-piperazinyl)methyl]-1,3-oxazole-4-carbonitrile

  • Molecular FormulaC25H28N6O
  • Average mass428.529 Da
  • Monoisotopic mass428.232452 Da
  • ChemSpider ID28607594

More details:

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

4-Oxazolecarbonitrile, 5-(4-phenyl-1-piperazinyl)-2-[(4-phenyl-1-piperazinyl)methyl]- [ACD/Index Name]
5-(4-Phenyl-1-piperazinyl)-2-[(4-phenyl-1-piperazinyl)methyl]-1,3-oxazol-4-carbonitril [German] [ACD/IUPAC Name]
5-(4-Phenyl-1-piperazinyl)-2-[(4-phenyl-1-piperazinyl)methyl]-1,3-oxazole-4-carbonitrile [ACD/IUPAC Name]
5-(4-Phényl-1-pipérazinyl)-2-[(4-phényl-1-pipérazinyl)méthyl]-1,3-oxazole-4-carbonitrile [French] [ACD/IUPAC Name]
5-(4-phenylpiperazin-1-yl)-2-[(4-phenylpiperazin-1-yl)methyl]-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: 631.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.4±3.0 kJ/mol
Flash Point: 335.6±31.5 °C
Index of Refraction: 1.681
Molar Refractivity: 124.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.79
ACD/LogD (pH 5.5): 1.78
ACD/BCF (pH 5.5): 8.36
ACD/KOC (pH 5.5): 92.82
ACD/LogD (pH 7.4): 2.58
ACD/BCF (pH 7.4): 52.89
ACD/KOC (pH 7.4): 587.02
Polar Surface Area: 63 Å2
Polarizability: 49.2±0.5 10-24cm3
Surface Tension: 71.6±5.0 dyne/cm
Molar Volume: 328.3±5.0 cm3

Click to predict properties on the Chemicalize site


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