ChemSpider 2D Image | 3-(3-Chloro-1,2-oxazol-5-yl)-1-(2-{5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}-1-piperidinyl)-1-propanone | C20H20ClFN4O4

3-(3-Chloro-1,2-oxazol-5-yl)-1-(2-{5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}-1-piperidinyl)-1-propanone

  • Molecular FormulaC20H20ClFN4O4
  • Average mass434.849 Da
  • Monoisotopic mass434.115723 Da
  • ChemSpider ID65142900

More details:

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

1-Propanone, 3-(3-chloro-5-isoxazolyl)-1-[2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]-1-piperidinyl]- [ACD/Index Name]
3-(3-Chlor-1,2-oxazol-5-yl)-1-(2-{5-[(4-fluorphenoxy)methyl]-1,2,4-oxadiazol-3-yl}-1-piperidinyl)-1-propanon [German] [ACD/IUPAC Name]
3-(3-Chloro-1,2-oxazol-5-yl)-1-(2-{5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}-1-piperidinyl)-1-propanone [ACD/IUPAC Name]
3-(3-Chloro-1,2-oxazol-5-yl)-1-(2-{5-[(4-fluorophénoxy)méthyl]-1,2,4-oxadiazol-3-yl}-1-pipéridinyl)-1-propanone [French] [ACD/IUPAC Name]
3-(3-chloro-5-isoxazolyl)-1-(2-{5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}piperidino)-1-propanone

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

Density: 1.4±0.1 g/cm3
Boiling Point: 668.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.3±3.0 kJ/mol
Flash Point: 358.1±34.3 °C
Index of Refraction: 1.574
Molar Refractivity: 104.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.28
ACD/LogD (pH 5.5): 2.43
ACD/BCF (pH 5.5): 41.30
ACD/KOC (pH 5.5): 499.25
ACD/LogD (pH 7.4): 2.43
ACD/BCF (pH 7.4): 41.30
ACD/KOC (pH 7.4): 499.26
Polar Surface Area: 94 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 57.8±3.0 dyne/cm
Molar Volume: 316.3±3.0 cm3

Click to predict properties on the Chemicalize site


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