3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-[3-(morpholin-4-yl)propyl]propanamide

• ChemBase ID: 356762
• Molecular Formular: C17H24N4O3S
• Molecular Mass: 364.46246
• Monoisotopic Mass: 364.15691165
• SMILES: c1(nnc(o1)CCC(=O)NCCCN1CCOCC1)c1sc(cc1)C
• Canonical SMILES: O=C(NCCCN1CCOCC1)CCc1nnc(o1)c1ccc(s1)C
• InChI: InChI=1S/C17H24N4O3S/c1-13-3-4-14(25-13)17-20-19-16(24-17)6-5-15(22)18-7-2-8-21-9-11-23-12-10-21/h3-4H,2,5-12H2,1H3,(H,18,22)
• InChIKey: LGNYUTMYOMQARF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-[3-(morpholin-4-yl)propyl]propanamide
• IUPAC Traditional name: 3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-[3-(morpholin-4-yl)propyl]propanamide
• Synonyms: 3-[5-(5-methyl-2-thienyl)-1,3,4-oxadiazol-2-yl]-N-[3-(4-morpholinyl)propyl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.265434
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.8859344
• LogD (pH = 7.4): 0.48056766
• Log P: 0.6272294
• Molar Refractivity: 108.0433 cm^3
• Polarizability: 37.315613 Å^3
• Polar Surface Area: 80.49 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 0.58
• LOG S: -2.86
• Polar Surface Area: 80.49 Å^2
• Rotatable Bonds: 8