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

• ChemBase ID: 749280
• Molecular Formular: C19H26N4O4
• Molecular Mass: 374.43414
• Monoisotopic Mass: 374.19540533
• SMILES: c1(nc(on1)CCC(=O)NCCCN1CCOCC1)c1c(OC)cccc1
• Canonical SMILES: COc1ccccc1c1noc(n1)CCC(=O)NCCCN1CCOCC1
• InChI: InChI=1S/C19H26N4O4/c1-25-16-6-3-2-5-15(16)19-21-18(27-22-19)8-7-17(24)20-9-4-10-23-11-13-26-14-12-23/h2-3,5-6H,4,7-14H2,1H3,(H,20,24)
• InChIKey: DEOLFZRWYZHPDD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(morpholin-4-yl)propyl]propanamide
• IUPAC Traditional name: 3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(morpholin-4-yl)propyl]propanamide
• Synonyms: 3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-morpholin-4-ylpropyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.218691
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -0.33322144
• LogD (pH = 7.4): 1.03446
• Log P: 1.1811368
• Molar Refractivity: 112.5603 cm^3
• Polarizability: 39.37348 Å^3
• Polar Surface Area: 89.72 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 0.46
• LOG S: -2.32
• Polar Surface Area: 89.72 Å^2
• Rotatable Bonds: 9