ChemSpider 2D Image | 2-[(2S,4S)-4-Fluoro-2-(hydroxymethyl)-1-pyrrolidinyl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide | C11H16FN3O3

2-[(2S,4S)-4-Fluoro-2-(hydroxymethyl)-1-pyrrolidinyl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide

  • Molecular FormulaC11H16FN3O3
  • Average mass257.261 Da
  • Monoisotopic mass257.117584 Da
  • ChemSpider ID65283892

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-Pyrrolidineacetamide, 4-fluoro-2-(hydroxymethyl)-N-(3-methyl-5-isoxazolyl)-, (2S,4S)- [ACD/Index Name]
2-[(2S,4S)-4-Fluor-2-(hydroxymethyl)-1-pyrrolidinyl]-N-(3-methyl-1,2-oxazol-5-yl)acetamid [German] [ACD/IUPAC Name]
2-[(2S,4S)-4-Fluoro-2-(hydroxymethyl)-1-pyrrolidinyl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide [ACD/IUPAC Name]
2-[(2S,4S)-4-Fluoro-2-(hydroxyméthyl)-1-pyrrolidinyl]-N-(3-méthyl-1,2-oxazol-5-yl)acétamide [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: 478.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.3±3.0 kJ/mol
Flash Point: 243.3±28.7 °C
Index of Refraction: 1.550
Molar Refractivity: 61.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.39
ACD/LogD (pH 5.5): -0.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.08
ACD/LogD (pH 7.4): -0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 18.77
Polar Surface Area: 79 Å2
Polarizability: 24.3±0.5 10-24cm3
Surface Tension: 55.5±5.0 dyne/cm
Molar Volume: 192.5±5.0 cm3

Click to predict properties on the Chemicalize site


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