N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-(5-methylfuran-2-yl)benzamide

• ChemBase ID: 441967
• Molecular Formular: C17H17N3O3
• Molecular Mass: 311.33518
• Monoisotopic Mass: 311.12699142
• SMILES: c1(nnc(o1)C)CN(C(=O)c1ccc(c2oc(cc2)C)cc1)C
• Canonical SMILES: Cc1ccc(o1)c1ccc(cc1)C(=O)N(Cc1nnc(o1)C)C
• InChI: InChI=1S/C17H17N3O3/c1-11-4-9-15(22-11)13-5-7-14(8-6-13)17(21)20(3)10-16-19-18-12(2)23-16/h4-9H,10H2,1-3H3
• InChIKey: IDKDFIMPAXOGQA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-(5-methylfuran-2-yl)benzamide
• IUPAC Traditional name: N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-(5-methylfuran-2-yl)benzamide
• Synonyms: N-methyl-4-(5-methyl-2-furyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.0804155
• LogD (pH = 7.4): 1.0804156
• Log P: 1.0804156
• Molar Refractivity: 86.9125 cm^3
• Polarizability: 32.890026 Å^3
• Polar Surface Area: 72.37 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.14
• LOG S: -2.44
• Polar Surface Area: 72.37 Å^2
• Rotatable Bonds: 4