ethyl 2-(4-{[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}morpholin-3-yl)acetate

• ChemBase ID: 401294
• Molecular Formular: C21H28N2O5
• Molecular Mass: 388.45742
• Monoisotopic Mass: 388.19982201
• SMILES: c1(nc(c(o1)C)CN1C(CC(=O)OCC)COCC1)c1c(OCC)cccc1
• Canonical SMILES: CCOC(=O)CC1COCCN1Cc1nc(oc1C)c1ccccc1OCC
• InChI: InChI=1S/C21H28N2O5/c1-4-26-19-9-7-6-8-17(19)21-22-18(15(3)28-21)13-23-10-11-25-14-16(23)12-20(24)27-5-2/h6-9,16H,4-5,10-14H2,1-3H3
• InChIKey: SJPPVYAIGVVAPV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(4-{[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}morpholin-3-yl)acetate
• IUPAC Traditional name: ethyl 2-(4-{[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}morpholin-3-yl)acetate
• Synonyms: ethyl (4-{[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-3-morpholinyl)acetate

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.0806406
• LogD (pH = 7.4): 2.413996
• Log P: 2.4204388
• Molar Refractivity: 115.2974 cm^3
• Polarizability: 41.548702 Å^3
• Polar Surface Area: 74.03 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 2.67
• LOG S: -2.38
• Polar Surface Area: 74.03 Å^2
• Rotatable Bonds: 5