ChemSpider 2D Image | (3-Ethyl-5-methyl-1,2-oxazol-4-yl){3-[4-(4-fluorophenyl)-1-piperazinyl]-1-piperidinyl}methanone | C22H29FN4O2

(3-Ethyl-5-methyl-1,2-oxazol-4-yl){3-[4-(4-fluorophenyl)-1-piperazinyl]-1-piperidinyl}methanone

  • Molecular FormulaC22H29FN4O2
  • Average mass400.490 Da
  • Monoisotopic mass400.227448 Da
  • ChemSpider ID22208133

More details:

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

(3-Ethyl-5-methyl-1,2-oxazol-4-yl){3-[4-(4-fluorophenyl)-1-piperazinyl]-1-piperidinyl}methanone [ACD/IUPAC Name]
(3-Éthyl-5-méthyl-1,2-oxazol-4-yl){3-[4-(4-fluorophényl)-1-pipérazinyl]-1-pipéridinyl}méthanone [French] [ACD/IUPAC Name]
(3-Ethyl-5-methyl-1,2-oxazol-4-yl){3-[4-(4-fluorphenyl)-1-piperazinyl]-1-piperidinyl}methanon [German] [ACD/IUPAC Name]
Methanone, (3-ethyl-5-methyl-4-isoxazolyl)[3-[4-(4-fluorophenyl)-1-piperazinyl]-1-piperidinyl]- [ACD/Index Name]
1-{1-[(3-ethyl-5-methyl-4-isoxazolyl)carbonyl]-3-piperidinyl}-4-(4-fluorophenyl)piperazine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 585.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.5±3.0 kJ/mol
Flash Point: 308.0±30.1 °C
Index of Refraction: 1.575
Molar Refractivity: 109.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.80
ACD/LogD (pH 5.5): 0.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.45
ACD/LogD (pH 7.4): 2.13
ACD/BCF (pH 7.4): 20.27
ACD/KOC (pH 7.4): 238.29
Polar Surface Area: 53 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 49.5±3.0 dyne/cm
Molar Volume: 330.3±3.0 cm3

Click to predict properties on the Chemicalize site


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