N-methyl-N-[2-(morpholin-4-yl)ethyl]-2-(2-phenylethyl)-1,3-benzoxazole-5-carboxamide

• ChemBase ID: 674903
• Molecular Formular: C23H27N3O3
• Molecular Mass: 393.47878
• Monoisotopic Mass: 393.20524174
• SMILES: n1c(oc2c1cc(C(=O)N(CCN1CCOCC1)C)cc2)CCc1ccccc1
• Canonical SMILES: CN(C(=O)c1ccc2c(c1)nc(o2)CCc1ccccc1)CCN1CCOCC1
• InChI: InChI=1S/C23H27N3O3/c1-25(11-12-26-13-15-28-16-14-26)23(27)19-8-9-21-20(17-19)24-22(29-21)10-7-18-5-3-2-4-6-18/h2-6,8-9,17H,7,10-16H2,1H3
• InChIKey: IYQYOBVPKJEZJI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[2-(morpholin-4-yl)ethyl]-2-(2-phenylethyl)-1,3-benzoxazole-5-carboxamide
• IUPAC Traditional name: N-methyl-N-[2-(morpholin-4-yl)ethyl]-2-(2-phenylethyl)-1,3-benzoxazole-5-carboxamide
• Synonyms: N-methyl-N-[2-(4-morpholinyl)ethyl]-2-(2-phenylethyl)-1,3-benzoxazole-5-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.1090138
• LogD (pH = 7.4): 2.7978826
• Log P: 2.8199751
• Molar Refractivity: 112.4521 cm^3
• Polarizability: 44.16441 Å^3
• Polar Surface Area: 58.81 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.02
• LOG S: -2.76
• Polar Surface Area: 58.81 Å^2
• Rotatable Bonds: 7