2-(4-methoxyphenoxymethyl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-oxazole-4-carboxamide

• ChemBase ID: 407456
• Molecular Formular: C17H18N4O5
• Molecular Mass: 358.34862
• Monoisotopic Mass: 358.1277197
• SMILES: c1(nc(oc1)COc1ccc(cc1)OC)C(=O)N(Cc1nc(on1)C)C
• Canonical SMILES: COc1ccc(cc1)OCc1occ(n1)C(=O)N(Cc1noc(n1)C)C
• InChI: InChI=1S/C17H18N4O5/c1-11-18-15(20-26-11)8-21(2)17(22)14-9-25-16(19-14)10-24-13-6-4-12(23-3)5-7-13/h4-7,9H,8,10H2,1-3H3
• InChIKey: ZXURRXDSPKUEGC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-methoxyphenoxymethyl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-oxazole-4-carboxamide
• IUPAC Traditional name: 2-(4-methoxyphenoxymethyl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-oxazole-4-carboxamide
• Synonyms: 2-[(4-methoxyphenoxy)methyl]-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-oxazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 1.334022
• LogD (pH = 7.4): 1.334022
• Log P: 1.334022
• Molar Refractivity: 91.3133 cm^3
• Polarizability: 34.074917 Å^3
• Polar Surface Area: 103.72 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 8
• H Donor: 0
• Log P: -0.71
• LOG S: -2.52
• Polar Surface Area: 103.72 Å^2
• Rotatable Bonds: 7