N-(2-{4-[(2-phenyl-1,3-oxazol-4-yl)methyl]morpholin-2-yl}ethyl)acetamide

• ChemBase ID: 578670
• Molecular Formular: C18H23N3O3
• Molecular Mass: 329.39352
• Monoisotopic Mass: 329.17394161
• SMILES: n1c(occ1CN1CC(OCC1)CCNC(=O)C)c1ccccc1
• Canonical SMILES: CC(=O)NCCC1OCCN(C1)Cc1coc(n1)c1ccccc1
• InChI: InChI=1S/C18H23N3O3/c1-14(22)19-8-7-17-12-21(9-10-23-17)11-16-13-24-18(20-16)15-5-3-2-4-6-15/h2-6,13,17H,7-12H2,1H3,(H,19,22)
• InChIKey: JFRSFTHGLYDMHH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-{4-[(2-phenyl-1,3-oxazol-4-yl)methyl]morpholin-2-yl}ethyl)acetamide
• IUPAC Traditional name: N-(2-{4-[(2-phenyl-1,3-oxazol-4-yl)methyl]morpholin-2-yl}ethyl)acetamide
• Synonyms: N-(2-{4-[(2-phenyl-1,3-oxazol-4-yl)methyl]morpholin-2-yl}ethyl)acetamide

CALCULATED PROPERTIES

JChem

• LogD (pH = 7.4): 0.8758536
• Log P: 0.8858653
• Molar Refractivity: 100.8932 cm^3
• Polarizability: 35.85424 Å^3
• Polar Surface Area: 67.6 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• Acid pKa: 15.50731
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.43081522

供应商提供(Chembridge)

• Log P: 0.47
• LOG S: -2.0
• Polar Surface Area: 67.6 Å^2
• Rotatable Bonds: 6
• H Acceptors: 5
• H Donor: 1