ChemSpider 2D Image | {5-[(2-Chloro-4-fluorophenoxy)methyl]-1,2-oxazol-3-yl}{2-[2-(2-pyridinyl)ethyl]-1-piperidinyl}methanone | C23H23ClFN3O3

{5-[(2-Chloro-4-fluorophenoxy)methyl]-1,2-oxazol-3-yl}{2-[2-(2-pyridinyl)ethyl]-1-piperidinyl}methanone

  • Molecular FormulaC23H23ClFN3O3
  • Average mass443.898 Da
  • Monoisotopic mass443.141205 Da
  • ChemSpider ID22124419

More details:

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

{5-[(2-Chlor-4-fluorphenoxy)methyl]-1,2-oxazol-3-yl}{2-[2-(2-pyridinyl)ethyl]-1-piperidinyl}methanon [German] [ACD/IUPAC Name]
{5-[(2-Chloro-4-fluorophenoxy)methyl]-1,2-oxazol-3-yl}{2-[2-(2-pyridinyl)ethyl]-1-piperidinyl}methanone [ACD/IUPAC Name]
{5-[(2-Chloro-4-fluorophénoxy)méthyl]-1,2-oxazol-3-yl}{2-[2-(2-pyridinyl)éthyl]-1-pipéridinyl}méthanone [French] [ACD/IUPAC Name]
Methanone, [5-[(2-chloro-4-fluorophenoxy)methyl]-3-isoxazolyl][2-[2-(2-pyridinyl)ethyl]-1-piperidinyl]- [ACD/Index Name]
2-{2-[1-({5-[(2-chloro-4-fluorophenoxy)methyl]-3-isoxazolyl}carbonyl)-2-piperidinyl]ethyl}pyridine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 623.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.3±3.0 kJ/mol
Flash Point: 330.8±31.5 °C
Index of Refraction: 1.583
Molar Refractivity: 114.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.12
ACD/LogD (pH 5.5): 3.18
ACD/BCF (pH 5.5): 115.18
ACD/KOC (pH 5.5): 736.33
ACD/LogD (pH 7.4): 3.70
ACD/BCF (pH 7.4): 377.11
ACD/KOC (pH 7.4): 2410.90
Polar Surface Area: 68 Å2
Polarizability: 45.4±0.5 10-24cm3
Surface Tension: 52.1±3.0 dyne/cm
Molar Volume: 342.9±3.0 cm3

Click to predict properties on the Chemicalize site


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