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

• ChemBase ID: 504876
• Molecular Formular: C25H30N4O3
• Molecular Mass: 434.5307
• Monoisotopic Mass: 434.23179084
• SMILES: n1nc(oc1CCC(=O)NCc1ccc(N2CCOCC2)cc1)CCCc1ccccc1
• Canonical SMILES: O=C(NCc1ccc(cc1)N1CCOCC1)CCc1nnc(o1)CCCc1ccccc1
• InChI: InChI=1S/C25H30N4O3/c30-23(26-19-21-9-11-22(12-10-21)29-15-17-31-18-16-29)13-14-25-28-27-24(32-25)8-4-7-20-5-2-1-3-6-20/h1-3,5-6,9-12H,4,7-8,13-19H2,(H,26,30)
• InChIKey: HFMNDRJVHQNMCS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.118164
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.7798793
• LogD (pH = 7.4): 2.7799046
• Log P: 2.7799048
• Molar Refractivity: 125.5168 cm^3
• Polarizability: 47.037373 Å^3
• Polar Surface Area: 80.49 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.68
• LOG S: -5.8
• Polar Surface Area: 80.49 Å^2
• Rotatable Bonds: 10