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

• ChemBase ID: 560799
• Molecular Formular: C22H27N3O3
• Molecular Mass: 381.46808
• Monoisotopic Mass: 381.20524174
• SMILES: c1(nnc(o1)CCC(=O)N(C1CCCCC1)CC#C)C(c1ccccc1)OC
• Canonical SMILES: COC(c1nnc(o1)CCC(=O)N(C1CCCCC1)CC#C)c1ccccc1
• InChI: InChI=1S/C22H27N3O3/c1-3-16-25(18-12-8-5-9-13-18)20(26)15-14-19-23-24-22(28-19)21(27-2)17-10-6-4-7-11-17/h1,4,6-7,10-11,18,21H,5,8-9,12-16H2,2H3
• InChIKey: LBGGNXQKGOGNPU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.4557486
• LogD (pH = 7.4): 2.4557488
• Log P: 2.4557488
• Molar Refractivity: 107.7796 cm^3
• Polarizability: 40.883144 Å^3
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.12
• LOG S: -4.32
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 8