N-[(2-phenyl-1,3-oxazol-4-yl)methyl]morpholine-2-carboxamide

• ChemBase ID: 543611
• Molecular Formular: C15H17N3O3
• Molecular Mass: 287.31378
• Monoisotopic Mass: 287.12699142
• SMILES: n1c(occ1CNC(=O)C1OCCNC1)c1ccccc1
• Canonical SMILES: O=C(C1OCCNC1)NCc1coc(n1)c1ccccc1
• InChI: InChI=1S/C15H17N3O3/c19-14(13-9-16-6-7-20-13)17-8-12-10-21-15(18-12)11-4-2-1-3-5-11/h1-5,10,13,16H,6-9H2,(H,17,19)
• InChIKey: MAUOSGYGHHBZEL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2-phenyl-1,3-oxazol-4-yl)methyl]morpholine-2-carboxamide
• IUPAC Traditional name: N-[(2-phenyl-1,3-oxazol-4-yl)methyl]morpholine-2-carboxamide
• Synonyms: N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-2-morpholinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.887096
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.7257594
• LogD (pH = 7.4): -0.029287329
• Log P: 0.46790075
• Molar Refractivity: 86.2181 cm^3
• Polarizability: 30.336706 Å^3
• Polar Surface Area: 76.39 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: -0.15
• LOG S: -2.48
• Polar Surface Area: 76.39 Å^2
• Rotatable Bonds: 4