N-(2,3-dihydro-1-benzofuran-3-yl)-2-(2-methoxyethyl)-1,3-benzoxazole-6-carboxamide

• ChemBase ID: 650309
• Molecular Formular: C19H18N2O4
• Molecular Mass: 338.35722
• Monoisotopic Mass: 338.12665707
• SMILES: n1c(oc2c1ccc(C(=O)NC1c3c(OC1)cccc3)c2)CCOC
• Canonical SMILES: COCCc1nc2c(o1)cc(cc2)C(=O)NC1COc2c1cccc2
• InChI: InChI=1S/C19H18N2O4/c1-23-9-8-18-20-14-7-6-12(10-17(14)25-18)19(22)21-15-11-24-16-5-3-2-4-13(15)16/h2-7,10,15H,8-9,11H2,1H3,(H,21,22)
• InChIKey: DNEXLPDRVVXIJO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,3-dihydro-1-benzofuran-3-yl)-2-(2-methoxyethyl)-1,3-benzoxazole-6-carboxamide
• IUPAC Traditional name: N-(2,3-dihydro-1-benzofuran-3-yl)-2-(2-methoxyethyl)-1,3-benzoxazole-6-carboxamide
• Synonyms: N-(2,3-dihydro-1-benzofuran-3-yl)-2-(2-methoxyethyl)-1,3-benzoxazole-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.433209
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.035179
• LogD (pH = 7.4): 2.0351815
• Log P: 2.0351818
• Molar Refractivity: 91.0687 cm^3
• Polarizability: 36.019974 Å^3
• Polar Surface Area: 73.59 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.81
• LOG S: -3.21
• Polar Surface Area: 73.59 Å^2
• Rotatable Bonds: 5