N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methyl-3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanamide

• ChemBase ID: 425731
• Molecular Formular: C25H29N3O3
• Molecular Mass: 419.51606
• Monoisotopic Mass: 419.2208918
• SMILES: n1nc(oc1CCC(=O)N(CC1Oc2c(C1)cccc2)C)CCCCc1ccccc1
• Canonical SMILES: O=C(N(CC1Cc2c(O1)cccc2)C)CCc1nnc(o1)CCCCc1ccccc1
• InChI: InChI=1S/C25H29N3O3/c1-28(18-21-17-20-12-6-7-13-22(20)30-21)25(29)16-15-24-27-26-23(31-24)14-8-5-11-19-9-3-2-4-10-19/h2-4,6-7,9-10,12-13,21H,5,8,11,14-18H2,1H3
• InChIKey: CSLLHWWLUURLJJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.5778382
• LogD (pH = 7.4): 3.5778382
• Log P: 3.5778382
• Molar Refractivity: 120.4308 cm^3
• Polarizability: 45.879974 Å^3
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.01
• LOG S: -6.35
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 10