ChemSpider 2D Image | 2-[(2-{(2s,4s)-2-[(R)-(5-Tert-Butyl-1,3,4-Oxadiazol-2-Yl)(Hydroxy)methyl]-4-Fluoropyrrolidin-1-Yl}-2-Oxoethyl)amino]-2-Methylpropan-1-Ol | C17H29FN4O4

2-[(2-{(2s,4s)-2-[(R)-(5-Tert-Butyl-1,3,4-Oxadiazol-2-Yl)(Hydroxy)methyl]-4-Fluoropyrrolidin-1-Yl}-2-Oxoethyl)amino]-2-Methylpropan-1-Ol

  • Molecular FormulaC17H29FN4O4
  • Average mass372.435 Da
  • Monoisotopic mass372.217285 Da
  • ChemSpider ID25060993
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

1-[(2S,4S)-4-Fluor-2-{(R)-hydroxy[5-(2-methyl-2-propanyl)-1,3,4-oxadiazol-2-yl]methyl}-1-pyrrolidinyl]-2-[(1-hydroxy-2-methyl-2-propanyl)amino]ethanon [German] [ACD/IUPAC Name]
1-[(2S,4S)-4-Fluoro-2-{(R)-hydroxy[5-(2-methyl-2-propanyl)-1,3,4-oxadiazol-2-yl]methyl}-1-pyrrolidinyl]-2-[(1-hydroxy-2-methyl-2-propanyl)amino]ethanone [ACD/IUPAC Name]
1-[(2S,4S)-4-Fluoro-2-{(R)-hydroxy[5-(2-méthyl-2-propanyl)-1,3,4-oxadiazol-2-yl]méthyl}-1-pyrrolidinyl]-2-[(1-hydroxy-2-méthyl-2-propanyl)amino]éthanone [French] [ACD/IUPAC Name]
2-[(2-{(2s,4s)-2-[(R)-(5-Tert-Butyl-1,3,4-Oxadiazol-2-Yl)(Hydroxy)methyl]-4-Fluoropyrrolidin-1-Yl}-2-Oxoethyl)amino]-2-Methylpropan-1-Ol
Ethanone, 1-[(2S,4S)-2-[(R)-[5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2-yl]hydroxymethyl]-4-fluoro-1-pyrrolidinyl]-2-[(2-hydroxy-1,1-dimethylethyl)amino]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 573.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.3±3.0 kJ/mol
Flash Point: 300.4±32.9 °C
Index of Refraction: 1.537
Molar Refractivity: 93.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.25
ACD/LogD (pH 5.5): -1.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 15.94
Polar Surface Area: 112 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 54.5±5.0 dyne/cm
Molar Volume: 297.8±5.0 cm3

Click to predict properties on the Chemicalize site






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