N-(1,3-benzoxazol-2-ylmethyl)-N-methyl-1-benzofuran-5-carboxamide

• ChemBase ID: 693080
• Molecular Formular: C18H14N2O3
• Molecular Mass: 306.31536
• Monoisotopic Mass: 306.10044232
• SMILES: n1c(oc2c1cccc2)CN(C(=O)c1cc2c(occ2)cc1)C
• Canonical SMILES: CN(C(=O)c1ccc2c(c1)cco2)Cc1nc2c(o1)cccc2
• InChI: InChI=1S/C18H14N2O3/c1-20(11-17-19-14-4-2-3-5-16(14)23-17)18(21)13-6-7-15-12(10-13)8-9-22-15/h2-10H,11H2,1H3
• InChIKey: FRKOKKJXGAPUMX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1,3-benzoxazol-2-ylmethyl)-N-methyl-1-benzofuran-5-carboxamide
• IUPAC Traditional name: N-(1,3-benzoxazol-2-ylmethyl)-N-methyl-1-benzofuran-5-carboxamide
• Synonyms: N-(1,3-benzoxazol-2-ylmethyl)-N-methyl-1-benzofuran-5-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.5746205
• LogD (pH = 7.4): 2.5746207
• Log P: 2.5746207
• Molar Refractivity: 84.3756 cm^3
• Polarizability: 34.31876 Å^3
• Polar Surface Area: 59.48 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.63
• LOG S: -3.17
• Polar Surface Area: 59.48 Å^2
• Rotatable Bonds: 3