ChemSpider 2D Image | N-{3-(2,4-Dihydroxy-5-isopropylphenyl)-4-[4-(4-morpholinylmethyl)phenyl]-1,2-oxazol-5-yl}cyclopropanecarboxamide | C27H31N3O5

N-{3-(2,4-Dihydroxy-5-isopropylphenyl)-4-[4-(4-morpholinylmethyl)phenyl]-1,2-oxazol-5-yl}cyclopropanecarboxamide

  • Molecular FormulaC27H31N3O5
  • Average mass477.552 Da
  • Monoisotopic mass477.226379 Da
  • ChemSpider ID35035921

More details:

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

Cyclopropanecarboxamide, N-[3-[2,4-dihydroxy-5-(1-methylethyl)phenyl]-4-[4-(4-morpholinylmethyl)phenyl]-5-isoxazolyl]- [ACD/Index Name]
N-{3-(2,4-Dihydroxy-5-isopropylphenyl)-4-[4-(4-morpholinylmethyl)phenyl]-1,2-oxazol-5-yl}cyclopropancarboxamid [German] [ACD/IUPAC Name]
N-{3-(2,4-Dihydroxy-5-isopropylphenyl)-4-[4-(4-morpholinylmethyl)phenyl]-1,2-oxazol-5-yl}cyclopropanecarboxamide [ACD/IUPAC Name]
N-{3-(2,4-Dihydroxy-5-isopropylphényl)-4-[4-(4-morpholinylméthyl)phényl]-1,2-oxazol-5-yl}cyclopropanecarboxamide [French] [ACD/IUPAC Name]
N-{3-[2,4-Dihydroxy-5-(Propan-2-Yl)phenyl]-4-[4-(Morpholin-4-Ylmethyl)phenyl]-1,2-Oxazol-5-Yl}cyclopropanecarboxamide
FJ5
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL3342720/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 668.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.8±3.0 kJ/mol
Flash Point: 357.9±31.5 °C
Index of Refraction: 1.646
Molar Refractivity: 131.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.56
ACD/LogD (pH 5.5): 0.96
ACD/BCF (pH 5.5): 2.10
ACD/KOC (pH 5.5): 36.44
ACD/LogD (pH 7.4): 1.59
ACD/BCF (pH 7.4): 8.89
ACD/KOC (pH 7.4): 154.20
Polar Surface Area: 108 Å2
Polarizability: 52.2±0.5 10-24cm3
Surface Tension: 63.3±3.0 dyne/cm
Molar Volume: 362.8±3.0 cm3

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