ChemSpider 2D Image | (4R)-1-(1-Benzofuran-3-ylcarbonyl)-4-{[(3-ethyl-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-L-prolinamide | C25H27N7O5

(4R)-1-(1-Benzofuran-3-ylcarbonyl)-4-{[(3-ethyl-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-L-prolinamide

  • Molecular FormulaC25H27N7O5
  • Average mass505.526 Da
  • Monoisotopic mass505.207367 Da
  • ChemSpider ID31129616

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4R)-1-(1-Benzofuran-3-ylcarbonyl)-4-{[(3-ethyl-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-L-prolinamid [German] [ACD/IUPAC Name]
(4R)-1-(1-Benzofuran-3-ylcarbonyl)-4-{[(3-ethyl-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-L-prolinamide [ACD/IUPAC Name]
(4R)-1-(1-Benzofuran-3-ylcarbonyl)-4-{[(3-éthyl-1-méthyl-1H-pyrazol-5-yl)carbonyl]amino}-N-[(3-méthyl-1,2,4-oxadiazol-5-yl)méthyl]-L-prolinamide [French] [ACD/IUPAC Name]
1H-Pyrazole-5-carboxamide, N-[(3R,5S)-1-(3-benzofuranylcarbonyl)-5-[[[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]carbonyl]-3-pyrrolidinyl]-3-ethyl-1-methyl- [ACD/Index 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.713
Molar Refractivity: 133.0±0.5 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -1.16
ACD/LogD (pH 5.5): 0.48
ACD/BCF (pH 5.5): 1.36
ACD/KOC (pH 5.5): 43.43
ACD/LogD (pH 7.4): 0.48
ACD/BCF (pH 7.4): 1.36
ACD/KOC (pH 7.4): 43.43
Polar Surface Area: 148 Å2
Polarizability: 52.7±0.5 10-24cm3
Surface Tension: 60.3±7.0 dyne/cm
Molar Volume: 339.2±7.0 cm3

Click to predict properties on the Chemicalize site


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