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

• ChemBase ID: 318301
• Molecular Formular: C18H19N3O4
• Molecular Mass: 341.36116
• Monoisotopic Mass: 341.1375561
• SMILES: n1nc(oc1COc1ccccc1)CCC(=O)NCc1oc(cc1)C
• Canonical SMILES: O=C(NCc1ccc(o1)C)CCc1nnc(o1)COc1ccccc1
• InChI: InChI=1S/C18H19N3O4/c1-13-7-8-15(24-13)11-19-16(22)9-10-17-20-21-18(25-17)12-23-14-5-3-2-4-6-14/h2-8H,9-12H2,1H3,(H,19,22)
• InChIKey: IDXQLWGYXRIQMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.845622
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.9435958
• LogD (pH = 7.4): 0.94359446
• Log P: 0.9435959
• Molar Refractivity: 91.5925 cm^3
• Polarizability: 34.392178 Å^3
• Polar Surface Area: 90.39 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 0.48
• LOG S: -3.96
• Polar Surface Area: 90.39 Å^2
• Rotatable Bonds: 8