N-ethyl-N-{[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}-2-methylfuran-3-carboxamide

• ChemBase ID: 765125
• Molecular Formular: C13H17N3O4
• Molecular Mass: 279.29178
• Monoisotopic Mass: 279.12190604
• SMILES: c1(C(=O)N(Cc2nc(no2)COC)CC)c(occ1)C
• Canonical SMILES: COCc1noc(n1)CN(C(=O)c1ccoc1C)CC
• InChI: InChI=1S/C13H17N3O4/c1-4-16(13(17)10-5-6-19-9(10)2)7-12-14-11(8-18-3)15-20-12/h5-6H,4,7-8H2,1-3H3
• InChIKey: GNUITMLWGPQORT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-N-{[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}-2-methylfuran-3-carboxamide
• IUPAC Traditional name: N-ethyl-N-{[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}-2-methylfuran-3-carboxamide
• Synonyms: N-ethyl-N-{[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}-2-methyl-3-furamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.90341735
• LogD (pH = 7.4): 0.90341735
• Log P: 0.90341735
• Molar Refractivity: 72.975 cm^3
• Polarizability: 26.533764 Å^3
• Polar Surface Area: 81.6 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 0.13
• LOG S: -2.66
• Polar Surface Area: 81.6 Å^2
• Rotatable Bonds: 6