ChemSpider 2D Image | 3-{3-[1-(Methylsulfonyl)-2-pyrrolidinyl]-1,2,4-oxadiazol-5-yl}propanoic acid | C10H15N3O5S

3-{3-[1-(Methylsulfonyl)-2-pyrrolidinyl]-1,2,4-oxadiazol-5-yl}propanoic acid

  • Molecular FormulaC10H15N3O5S
  • Average mass289.308 Da
  • Monoisotopic mass289.073242 Da
  • ChemSpider ID34272573

More details:

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

1,2,4-Oxadiazole-5-propanoic acid, 3-[1-(methylsulfonyl)-2-pyrrolidinyl]- [ACD/Index Name]
3-{3-[1-(Methylsulfonyl)-2-pyrrolidinyl]-1,2,4-oxadiazol-5-yl}propanoic acid [ACD/IUPAC Name]
3-{3-[1-(Methylsulfonyl)-2-pyrrolidinyl]-1,2,4-oxadiazol-5-yl}propansäure [German] [ACD/IUPAC Name]
Acide 3-{3-[1-(méthylsulfonyl)-2-pyrrolidinyl]-1,2,4-oxadiazol-5-yl}propanoïque [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 535.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.5±3.0 kJ/mol
Flash Point: 277.8±32.9 °C
Index of Refraction: 1.585
Molar Refractivity: 64.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.81
ACD/LogD (pH 5.5): -1.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 122 Å2
Polarizability: 25.4±0.5 10-24cm3
Surface Tension: 75.9±5.0 dyne/cm
Molar Volume: 191.5±5.0 cm3

Click to predict properties on the Chemicalize site


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