ChemSpider 2D Image | (4r)-4-Hydroxy-1-[(3-Methylisoxazol-5-Yl)acetyl]-N-[4-(1,3-Oxazol-5-Yl)benzyl]-L-Prolinamide | C21H22N4O5

(4r)-4-Hydroxy-1-[(3-Methylisoxazol-5-Yl)acetyl]-N-[4-(1,3-Oxazol-5-Yl)benzyl]-L-Prolinamide

  • Molecular FormulaC21H22N4O5
  • Average mass410.423 Da
  • Monoisotopic mass410.159027 Da
  • ChemSpider ID31133666
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(4R)-4-Hydroxy-1-[(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[4-(1,3-oxazol-5-yl)benzyl]-L-prolinamid [German] [ACD/IUPAC Name]
(4R)-4-Hydroxy-1-[(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[4-(1,3-oxazol-5-yl)benzyl]-L-prolinamide [ACD/IUPAC Name]
(4r)-4-Hydroxy-1-[(3-Methylisoxazol-5-Yl)acetyl]-N-[4-(1,3-Oxazol-5-Yl)benzyl]-L-Prolinamide
(4R)-4-Hydroxy-1-[2-(3-méthyl-1,2-oxazol-5-yl)acétyl]-N-[4-(1,3-oxazol-5-yl)benzyl]-L-prolinamide [French] [ACD/IUPAC Name]
2-Pyrrolidinecarboxamide, 4-hydroxy-1-[2-(3-methyl-5-isoxazolyl)acetyl]-N-[[4-(5-oxazolyl)phenyl]methyl]-, (2S,4R)- [ACD/Index Name]
10.1021/jm400386j
L8B

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

Density: 1.4±0.1 g/cm3
Boiling Point: 773.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.2±3.0 kJ/mol
Flash Point: 421.8±32.9 °C
Index of Refraction: 1.608
Molar Refractivity: 104.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.85
ACD/LogD (pH 5.5): 0.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 33.51
ACD/LogD (pH 7.4): 0.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 33.51
Polar Surface Area: 122 Å2
Polarizability: 41.5±0.5 10-24cm3
Surface Tension: 64.3±3.0 dyne/cm
Molar Volume: 303.1±3.0 cm3

Click to predict properties on the Chemicalize site






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