ChemSpider 2D Image | [3-(4-Fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 6-cyclopropyl-3-methyl[1,2]oxazolo[5,4-b]pyridine-4-carboxylate | C20H15FN4O4

[3-(4-Fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 6-cyclopropyl-3-methyl[1,2]oxazolo[5,4-b]pyridine-4-carboxylate

  • Molecular FormulaC20H15FN4O4
  • Average mass394.356 Da
  • Monoisotopic mass394.107727 Da
  • ChemSpider ID21776655

More details:

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

[3-(4-Fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 6-cyclopropyl-3-methyl[1,2]oxazolo[5,4-b]pyridine-4-carboxylate [ACD/IUPAC Name]
[3-(4-Fluorphenyl)-1,2,4-oxadiazol-5-yl]methyl-6-cyclopropyl-3-methyl[1,2]oxazolo[5,4-b]pyridin-4-carboxylat [German] [ACD/IUPAC Name]
6-Cyclopropyl-3-méthyl[1,2]oxazolo[5,4-b]pyridine-4-carboxylate de [3-(4-fluorophényl)-1,2,4-oxadiazol-5-yl]méthyle [French] [ACD/IUPAC Name]
Isoxazolo[5,4-b]pyridine-4-carboxylic acid, 6-cyclopropyl-3-methyl-, [3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl ester [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 611.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.8±3.0 kJ/mol
Flash Point: 323.8±34.3 °C
Index of Refraction: 1.639
Molar Refractivity: 98.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.41
ACD/LogD (pH 5.5): 3.34
ACD/BCF (pH 5.5): 203.30
ACD/KOC (pH 5.5): 1562.35
ACD/LogD (pH 7.4): 3.34
ACD/BCF (pH 7.4): 203.30
ACD/KOC (pH 7.4): 1562.36
Polar Surface Area: 104 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 64.3±3.0 dyne/cm
Molar Volume: 274.4±3.0 cm3

Click to predict properties on the Chemicalize site


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