N,3,6-trimethyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-1-benzofuran-2-carboxamide

• ChemBase ID: 863925
• Molecular Formular: C22H20N2O3
• Molecular Mass: 360.4058
• Monoisotopic Mass: 360.14739251
• SMILES: c1(oc2c(c1C)ccc(c2)C)C(=O)N(Cc1noc(c1)c1ccccc1)C
• Canonical SMILES: Cc1ccc2c(c1)oc(c2C)C(=O)N(Cc1noc(c1)c1ccccc1)C
• InChI: InChI=1S/C22H20N2O3/c1-14-9-10-18-15(2)21(26-20(18)11-14)22(25)24(3)13-17-12-19(27-23-17)16-7-5-4-6-8-16/h4-12H,13H2,1-3H3
• InChIKey: YCKGCYCDHXJDGS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,3,6-trimethyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-1-benzofuran-2-carboxamide
• IUPAC Traditional name: N,3,6-trimethyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-1-benzofuran-2-carboxamide
• Synonyms: N,3,6-trimethyl-N-[(5-phenyl-3-isoxazolyl)methyl]-1-benzofuran-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.114922
• LogD (pH = 7.4): 4.1149225
• Log P: 4.1149225
• Molar Refractivity: 104.2769 cm^3
• Polarizability: 41.307476 Å^3
• Polar Surface Area: 59.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.98
• LOG S: -4.37
• Polar Surface Area: 59.48 Å^2
• Rotatable Bonds: 4