N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(3-methoxyphenoxymethyl)-N-methyl-1,3-oxazole-4-carboxamide

• ChemBase ID: 863783
• Molecular Formular: C22H22N2O5
• Molecular Mass: 394.42048
• Monoisotopic Mass: 394.15287181
• SMILES: c1(nc(oc1)COc1cc(OC)ccc1)C(=O)N(CC1Oc2c(C1)cccc2)C
• Canonical SMILES: COc1cccc(c1)OCc1occ(n1)C(=O)N(CC1Cc2c(O1)cccc2)C
• InChI: InChI=1S/C22H22N2O5/c1-24(12-18-10-15-6-3-4-9-20(15)29-18)22(25)19-13-28-21(23-19)14-27-17-8-5-7-16(11-17)26-2/h3-9,11,13,18H,10,12,14H2,1-2H3
• InChIKey: QGKOMUCNYQDZLE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(3-methoxyphenoxymethyl)-N-methyl-1,3-oxazole-4-carboxamide
• IUPAC Traditional name: N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(3-methoxyphenoxymethyl)-N-methyl-1,3-oxazole-4-carboxamide
• Synonyms: N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-[(3-methoxyphenoxy)methyl]-N-methyl-1,3-oxazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.8249822
• LogD (pH = 7.4): 2.8249822
• Log P: 2.8249822
• Molar Refractivity: 105.6652 cm^3
• Polarizability: 40.71028 Å^3
• Polar Surface Area: 74.03 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 2.74
• LOG S: -2.79
• Polar Surface Area: 74.03 Å^2
• Rotatable Bonds: 6