ChemSpider 2D Image | (1S,3S,4S)-N-[(3,5-Dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxy-N-methyl-4-{[3-(1H-tetrazol-1-yl)propanoyl]amino}cyclopentanecarboxamide | C17H25N7O4

(1S,3S,4S)-N-[(3,5-Dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxy-N-methyl-4-{[3-(1H-tetrazol-1-yl)propanoyl]amino}cyclopentanecarboxamide

  • Molecular FormulaC17H25N7O4
  • Average mass391.425 Da
  • Monoisotopic mass391.196808 Da
  • ChemSpider ID112746437

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,3S,4S)-N-[(3,5-Dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxy-N-methyl-4-{[3-(1H-tetrazol-1-yl)propanoyl]amino}cyclopentancarboxamid [German] [ACD/IUPAC Name]
(1S,3S,4S)-N-[(3,5-Dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxy-N-methyl-4-{[3-(1H-tetrazol-1-yl)propanoyl]amino}cyclopentanecarboxamide [ACD/IUPAC Name]
(1S,3S,4S)-N-[(3,5-Diméthyl-1,2-oxazol-4-yl)méthyl]-3-hydroxy-N-méthyl-4-{[3-(1H-tétrazol-1-yl)propanoyl]amino}cyclopentanecarboxamide [French] [ACD/IUPAC Name]
1H-Tetrazole-1-propanamide, N-[(1S,2S,4S)-4-[[[(3,5-dimethyl-4-isoxazolyl)methyl]methylamino]carbonyl]-2-hydroxycyclopentyl]- [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: 1.689
Molar Refractivity: 99.8±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -2.54
ACD/LogD (pH 5.5): -1.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.09
ACD/LogD (pH 7.4): -1.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.09
Polar Surface Area: 139 Å2
Polarizability: 39.6±0.5 10-24cm3
Surface Tension: 59.8±7.0 dyne/cm
Molar Volume: 261.5±7.0 cm3

Click to predict properties on the Chemicalize site


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