ChemSpider 2D Image | 3-(5-Chloro-3-methyl-1,2-oxazol-4-yl)-1-(4-{[1-(2-methyl-2-propanyl)-1H-pyrazol-4-yl]methyl}-1-piperazinyl)-1-propanone | C19H28ClN5O2

3-(5-Chloro-3-methyl-1,2-oxazol-4-yl)-1-(4-{[1-(2-methyl-2-propanyl)-1H-pyrazol-4-yl]methyl}-1-piperazinyl)-1-propanone

  • Molecular FormulaC19H28ClN5O2
  • Average mass393.911 Da
  • Monoisotopic mass393.193146 Da
  • ChemSpider ID65123749

More details:

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

1-Propanone, 3-(5-chloro-3-methyl-4-isoxazolyl)-1-[4-[[1-(1,1-dimethylethyl)-1H-pyrazol-4-yl]methyl]-1-piperazinyl]- [ACD/Index Name]
3-(5-Chlor-3-methyl-1,2-oxazol-4-yl)-1-(4-{[1-(2-methyl-2-propanyl)-1H-pyrazol-4-yl]methyl}-1-piperazinyl)-1-propanon [German] [ACD/IUPAC Name]
3-(5-Chloro-3-methyl-1,2-oxazol-4-yl)-1-(4-{[1-(2-methyl-2-propanyl)-1H-pyrazol-4-yl]methyl}-1-piperazinyl)-1-propanone [ACD/IUPAC Name]
3-(5-Chloro-3-méthyl-1,2-oxazol-4-yl)-1-(4-{[1-(2-méthyl-2-propanyl)-1H-pyrazol-4-yl]méthyl}-1-pipérazinyl)-1-propanone [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 566.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.0±3.0 kJ/mol
Flash Point: 296.3±30.1 °C
Index of Refraction: 1.608
Molar Refractivity: 107.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.77
ACD/LogD (pH 5.5): 2.02
ACD/BCF (pH 5.5): 17.39
ACD/KOC (pH 5.5): 224.15
ACD/LogD (pH 7.4): 2.30
ACD/BCF (pH 7.4): 32.60
ACD/KOC (pH 7.4): 420.15
Polar Surface Area: 67 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 45.5±7.0 dyne/cm
Molar Volume: 309.6±7.0 cm3

Click to predict properties on the Chemicalize site


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