ChemSpider 2D Image | 3-Fluoro-1-{4-[3-(2-methyl-2-propanyl)-1,2,4-oxadiazol-5-yl]butanoyl}-3-pyrrolidinecarboxylic acid | C15H22FN3O4

3-Fluoro-1-{4-[3-(2-methyl-2-propanyl)-1,2,4-oxadiazol-5-yl]butanoyl}-3-pyrrolidinecarboxylic acid

  • Molecular FormulaC15H22FN3O4
  • Average mass327.351 Da
  • Monoisotopic mass327.159424 Da
  • ChemSpider ID53730329

More details:

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

3-Fluor-1-{4-[3-(2-methyl-2-propanyl)-1,2,4-oxadiazol-5-yl]butanoyl}-3-pyrrolidincarbonsäure [German] [ACD/IUPAC Name]
3-Fluoro-1-{4-[3-(2-methyl-2-propanyl)-1,2,4-oxadiazol-5-yl]butanoyl}-3-pyrrolidinecarboxylic acid [ACD/IUPAC Name]
3-Pyrrolidinecarboxylic acid, 1-[4-[3-(1,1-dimethylethyl)-1,2,4-oxadiazol-5-yl]-1-oxobutyl]-3-fluoro- [ACD/Index Name]
Acide 3-fluoro-1-{4-[3-(2-méthyl-2-propanyl)-1,2,4-oxadiazol-5-yl]butanoyl}-3-pyrrolidinecarboxylique [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: 528.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.6±3.0 kJ/mol
Flash Point: 273.5±32.9 °C
Index of Refraction: 1.529
Molar Refractivity: 78.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.87
ACD/LogD (pH 5.5): -1.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 97 Å2
Polarizability: 31.2±0.5 10-24cm3
Surface Tension: 54.7±5.0 dyne/cm
Molar Volume: 255.6±5.0 cm3

Click to predict properties on the Chemicalize site


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