2-(morpholin-4-yl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-2-(pyridin-3-yl)acetamide

• ChemBase ID: 714412
• Molecular Formular: C21H22N4O3
• Molecular Mass: 378.42438
• Monoisotopic Mass: 378.16919058
• SMILES: c1(cc(no1)CNC(=O)C(N1CCOCC1)c1cnccc1)c1ccccc1
• Canonical SMILES: O=C(C(c1cccnc1)N1CCOCC1)NCc1noc(c1)c1ccccc1
• InChI: InChI=1S/C21H22N4O3/c26-21(20(17-7-4-8-22-14-17)25-9-11-27-12-10-25)23-15-18-13-19(28-24-18)16-5-2-1-3-6-16/h1-8,13-14,20H,9-12,15H2,(H,23,26)
• InChIKey: JBHAYWSYVXWEQB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(morpholin-4-yl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-2-(pyridin-3-yl)acetamide
• IUPAC Traditional name: 2-(morpholin-4-yl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-2-(pyridin-3-yl)acetamide
• Synonyms: 2-morpholin-4-yl-N-[(5-phenylisoxazol-3-yl)methyl]-2-pyridin-3-ylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.040768
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.2639337
• LogD (pH = 7.4): 1.3220687
• Log P: 1.3228596
• Molar Refractivity: 104.6132 cm^3
• Polarizability: 41.541348 Å^3
• Polar Surface Area: 80.49 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 0.56
• LOG S: -1.14
• Polar Surface Area: 80.49 Å^2
• Rotatable Bonds: 6