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Search term: RKIBNEDMQYMQFM (Found by InChIKey (skeleton match))

ChemSpider 2D Image | (4R)-4-Hydroxy-N-methyl-1-[(3-methyl-1,2-oxazol-5-yl)acetyl]-L-prolinamide | C12H17N3O4

(4R)-4-Hydroxy-N-methyl-1-[(3-methyl-1,2-oxazol-5-yl)acetyl]-L-prolinamide

  • Molecular FormulaC12H17N3O4
  • Average mass267.281 Da
  • Monoisotopic mass267.121918 Da
  • ChemSpider ID31133664
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(2s,4r)-N-Methyl-1-[2-(3-Methyl-1,2-Oxazol-5-Yl)ethanoyl]-4-Oxidanyl-Pyrrolidine-2-Carboxamide
(4R)-4-Hydroxy-N-methyl-1-[(3-methyl-1,2-oxazol-5-yl)acetyl]-L-prolinamid [German] [ACD/IUPAC Name]
(4R)-4-Hydroxy-N-methyl-1-[(3-methyl-1,2-oxazol-5-yl)acetyl]-L-prolinamide [ACD/IUPAC Name]
(4R)-4-Hydroxy-N-méthyl-1-[2-(3-méthyl-1,2-oxazol-5-yl)acétyl]-L-prolinamide [French] [ACD/IUPAC Name]
2-Pyrrolidinecarboxamide, 4-hydroxy-N-methyl-1-[2-(3-methyl-5-isoxazolyl)acetyl]-, (2S,4R)- [ACD/Index Name]
QD0

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

Density: 1.3±0.1 g/cm3
Boiling Point: 608.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.0±3.0 kJ/mol
Flash Point: 321.6±31.5 °C
Index of Refraction: 1.563
Molar Refractivity: 65.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -2.36
ACD/LogD (pH 5.5): -1.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.51
ACD/LogD (pH 7.4): -1.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.51
Polar Surface Area: 96 Å2
Polarizability: 25.9±0.5 10-24cm3
Surface Tension: 60.8±3.0 dyne/cm
Molar Volume: 201.1±3.0 cm3

Click to predict properties on the Chemicalize site






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