N-(2-hydroxy-2-phenylethyl)-N-methyl-3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanamide

• ChemBase ID: 779889
• Molecular Formular: C24H29N3O3
• Molecular Mass: 407.50536
• Monoisotopic Mass: 407.2208918
• SMILES: n1nc(oc1CCC(=O)N(CC(c1ccccc1)O)C)CCCCc1ccccc1
• Canonical SMILES: OC(c1ccccc1)CN(C(=O)CCc1nnc(o1)CCCCc1ccccc1)C
• InChI: InChI=1S/C24H29N3O3/c1-27(18-21(28)20-13-6-3-7-14-20)24(29)17-16-23-26-25-22(30-23)15-9-8-12-19-10-4-2-5-11-19/h2-7,10-11,13-14,21,28H,8-9,12,15-18H2,1H3
• InChIKey: OATHPSNSDFNSTF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-hydroxy-2-phenylethyl)-N-methyl-3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanamide
• IUPAC Traditional name: N-(2-hydroxy-2-phenylethyl)-N-methyl-3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanamide
• Synonyms: N-(2-hydroxy-2-phenylethyl)-N-methyl-3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.093178
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.9282713
• LogD (pH = 7.4): 2.928271
• Log P: 2.9282713
• Molar Refractivity: 117.4739 cm^3
• Polarizability: 44.707047 Å^3
• Polar Surface Area: 79.46 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.01
• LOG S: -5.65
• Polar Surface Area: 79.46 Å^2
• Rotatable Bonds: 11