ChemSpider 2D Image | Ethyl ({(2S,4S)-4-fluoro-1-[(2-oxo-1,3-benzoxazol-3(2H)-yl)acetyl]-2-pyrrolidinyl}methyl)carbamate | C17H20FN3O5

Ethyl ({(2S,4S)-4-fluoro-1-[(2-oxo-1,3-benzoxazol-3(2H)-yl)acetyl]-2-pyrrolidinyl}methyl)carbamate

  • Molecular FormulaC17H20FN3O5
  • Average mass365.356 Da
  • Monoisotopic mass365.138702 Da
  • ChemSpider ID29713988

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

({(2S,4S)-4-Fluoro-1-[2-(2-oxo-1,3-benzoxazol-3(2H)-yl)acétyl]-2-pyrrolidinyl}méthyl)carbamate d'éthyle [French] [ACD/IUPAC Name]
Carbamic acid, N-[[(2S,4S)-4-fluoro-1-[2-(2-oxo-3(2H)-benzoxazolyl)acetyl]-2-pyrrolidinyl]methyl]-, ethyl ester [ACD/Index Name]
Ethyl ({(2S,4S)-4-fluoro-1-[(2-oxo-1,3-benzoxazol-3(2H)-yl)acetyl]-2-pyrrolidinyl}methyl)carbamate [ACD/IUPAC Name]
Ethyl-({(2S,4S)-4-fluor-1-[(2-oxo-1,3-benzoxazol-3(2H)-yl)acetyl]-2-pyrrolidinyl}methyl)carbamat [German] [ACD/IUPAC Name]
ethyl ({(2S,4S)-4-fluoro-1-[(2-oxo-1,3-benzoxazol-3(2H)-yl)acetyl]pyrrolidin-2-yl}methyl)carbamate

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.594
Molar Refractivity: 88.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.21
ACD/LogD (pH 5.5): 1.34
ACD/BCF (pH 5.5): 6.12
ACD/KOC (pH 5.5): 127.33
ACD/LogD (pH 7.4): 1.34
ACD/BCF (pH 7.4): 6.12
ACD/KOC (pH 7.4): 127.33
Polar Surface Area: 88 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 58.7±5.0 dyne/cm
Molar Volume: 262.2±5.0 cm3

Click to predict properties on the Chemicalize site


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