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

• ChemBase ID: 508065
• Molecular Formular: C22H25N3O4
• Molecular Mass: 395.4516
• Monoisotopic Mass: 395.1845063
• SMILES: c1(nnc(o1)CCC(=O)N(CCOc1ccccc1)C)C(c1ccccc1)OC
• Canonical SMILES: COC(c1nnc(o1)CCC(=O)N(CCOc1ccccc1)C)c1ccccc1
• InChI: InChI=1S/C22H25N3O4/c1-25(15-16-28-18-11-7-4-8-12-18)20(26)14-13-19-23-24-22(29-19)21(27-2)17-9-5-3-6-10-17/h3-12,21H,13-16H2,1-2H3
• InChIKey: MBRQRSBLNOAQLF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.0724447
• LogD (pH = 7.4): 2.0724447
• Log P: 2.0724447
• Molar Refractivity: 109.7374 cm^3
• Polarizability: 41.934402 Å^3
• Polar Surface Area: 77.69 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 0.85
• LOG S: -3.99
• Polar Surface Area: 77.69 Å^2
• Rotatable Bonds: 9