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

• ChemBase ID: 324166
• Molecular Formular: C22H31N3O3
• Molecular Mass: 385.49984
• Monoisotopic Mass: 385.23654187
• SMILES: n1nc(oc1CCC(=O)NCC1(O)CCCCC1)CCCCc1ccccc1
• Canonical SMILES: O=C(CCc1nnc(o1)CCCCc1ccccc1)NCC1(O)CCCCC1
• InChI: InChI=1S/C22H31N3O3/c26-19(23-17-22(27)15-7-2-8-16-22)13-14-21-25-24-20(28-21)12-6-5-11-18-9-3-1-4-10-18/h1,3-4,9-10,27H,2,5-8,11-17H2,(H,23,26)
• InChIKey: ZRMNGFWMLVKQSR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.320711
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.6433942
• LogD (pH = 7.4): 2.6433942
• Log P: 2.6433942
• Molar Refractivity: 109.1982 cm^3
• Polarizability: 41.76307 Å^3
• Polar Surface Area: 88.25 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 2.06
• LOG S: -5.69
• Polar Surface Area: 88.25 Å^2
• Rotatable Bonds: 10