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Search term: IUKADXXFBFQTOO-VIFPVBQESA-N (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 5-Methyl-3-[1-(methylsulfonyl)-2-pyrrolidinyl]-1,2-oxazole | C9H14N2O3S

5-Methyl-3-[1-(methylsulfonyl)-2-pyrrolidinyl]-1,2-oxazole

  • Molecular FormulaC9H14N2O3S
  • Average mass230.284 Da
  • Monoisotopic mass230.072510 Da
  • ChemSpider ID29166242

More details:

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

5-Methyl-3-[1-(methylsulfonyl)-2-pyrrolidinyl]-1,2-oxazol [German] [ACD/IUPAC Name]
5-Methyl-3-[1-(methylsulfonyl)-2-pyrrolidinyl]-1,2-oxazole [ACD/IUPAC Name]
5-Méthyl-3-[1-(méthylsulfonyl)-2-pyrrolidinyl]-1,2-oxazole [French] [ACD/IUPAC Name]
Isoxazole, 5-methyl-3-[1-(methylsulfonyl)-2-pyrrolidinyl]- [ACD/Index Name]
1185124-04-2 [RN]
3-(1-methanesulfonylpyrrolidin-2-yl)-5-methyl-1,2-oxazole
MFCD27215295

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

Density: 1.3±0.1 g/cm3
Boiling Point: 394.1±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.4±3.0 kJ/mol
Flash Point: 192.2±30.7 °C
Index of Refraction: 1.560
Molar Refractivity: 55.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.16
ACD/LogD (pH 5.5): 0.57
ACD/BCF (pH 5.5): 1.59
ACD/KOC (pH 5.5): 48.49
ACD/LogD (pH 7.4): 0.57
ACD/BCF (pH 7.4): 1.59
ACD/KOC (pH 7.4): 48.49
Polar Surface Area: 72 Å2
Polarizability: 22.0±0.5 10-24cm3
Surface Tension: 55.2±5.0 dyne/cm
Molar Volume: 171.5±5.0 cm3

Click to predict properties on the Chemicalize site


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