N-{[4-(morpholin-4-yl)phenyl]methyl}-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide

• ChemBase ID: 601722
• Molecular Formular: C22H24N4O3
• Molecular Mass: 392.45096
• Monoisotopic Mass: 392.18484065
• SMILES: n1c(oc(n1)CCC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccccc1
• Canonical SMILES: O=C(CCc1nnc(o1)c1ccccc1)NCc1ccc(cc1)N1CCOCC1
• InChI: InChI=1S/C22H24N4O3/c27-20(10-11-21-24-25-22(29-21)18-4-2-1-3-5-18)23-16-17-6-8-19(9-7-17)26-12-14-28-15-13-26/h1-9H,10-16H2,(H,23,27)
• InChIKey: QQPORQSIGSHWDC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[4-(morpholin-4-yl)phenyl]methyl}-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
• IUPAC Traditional name: N-{[4-(morpholin-4-yl)phenyl]methyl}-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
• Synonyms: N-[4-(4-morpholinyl)benzyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.301049
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.9581076
• LogD (pH = 7.4): 1.9581329
• Log P: 1.9581332
• Molar Refractivity: 122.2538 cm^3
• Polarizability: 42.35139 Å^3
• Polar Surface Area: 80.49 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.04
• LOG S: -4.86
• Polar Surface Area: 80.49 Å^2
• Rotatable Bonds: 7