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Search term: FQHRNVUXCKTULP-NSHDSACASA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (3S)-1-[(3-Phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-pyrrolidinol | C13H15N3O2

(3S)-1-[(3-Phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-pyrrolidinol

  • Molecular FormulaC13H15N3O2
  • Average mass245.277 Da
  • Monoisotopic mass245.116425 Da
  • ChemSpider ID47264566

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-1-[(3-Phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-pyrrolidinol [German] [ACD/IUPAC Name]
(3S)-1-[(3-Phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-pyrrolidinol [ACD/IUPAC Name]
(3S)-1-[(3-Phényl-1,2,4-oxadiazol-5-yl)méthyl]-3-pyrrolidinol [French] [ACD/IUPAC Name]
(3s)-1-[(3-Phenyl-1,2,4-Oxadiazol-5-Yl)methyl]pyrrolidin-3-Ol
3-Pyrrolidinol, 1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-, (3S)- [ACD/Index Name]
P6B

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

Density: 1.3±0.1 g/cm3
Boiling Point: 431.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.5±3.0 kJ/mol
Flash Point: 215.0±31.5 °C
Index of Refraction: 1.611
Molar Refractivity: 65.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.68
ACD/LogD (pH 5.5): 0.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.26
ACD/LogD (pH 7.4): 1.28
ACD/BCF (pH 7.4): 5.28
ACD/KOC (pH 7.4): 109.03
Polar Surface Area: 62 Å2
Polarizability: 26.1±0.5 10-24cm3
Surface Tension: 63.0±3.0 dyne/cm
Molar Volume: 189.6±3.0 cm3

Click to predict properties on the Chemicalize site


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