N-[(1-ethyl-1H-imidazol-2-yl)methyl]-3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanamide

• ChemBase ID: 353781
• Molecular Formular: C21H27N5O2
• Molecular Mass: 381.47138
• Monoisotopic Mass: 381.21647513
• SMILES: n1nc(oc1CCC(=O)NCc1n(ccn1)CC)CCCCc1ccccc1
• Canonical SMILES: CCn1ccnc1CNC(=O)CCc1nnc(o1)CCCCc1ccccc1
• InChI: InChI=1S/C21H27N5O2/c1-2-26-15-14-22-18(26)16-23-19(27)12-13-21-25-24-20(28-21)11-7-6-10-17-8-4-3-5-9-17/h3-5,8-9,14-15H,2,6-7,10-13,16H2,1H3,(H,23,27)
• InChIKey: RINQXKPIHBMLGE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-ethyl-1H-imidazol-2-yl)methyl]-3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanamide
• IUPAC Traditional name: N-[(1-ethylimidazol-2-yl)methyl]-3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanamide
• Synonyms: N-[(1-ethyl-1H-imidazol-2-yl)methyl]-3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.970396
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.3325492
• LogD (pH = 7.4): 1.8532262
• Log P: 1.8701106
• Molar Refractivity: 108.5418 cm^3
• Polarizability: 40.833637 Å^3
• Polar Surface Area: 85.84 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 0.77
• LOG S: -5.4
• Polar Surface Area: 85.84 Å^2
• Rotatable Bonds: 10