N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-{3-oxo-2H,3H,4H-pyrido[3,2-b][1,4]oxazin-4-yl}acetamide

• ChemBase ID: 351226
• Molecular Formular: C16H19N5O4
• Molecular Mass: 345.35316
• Monoisotopic Mass: 345.14370411
• SMILES: N1(c2c(OCC1=O)cccn2)CC(=O)N(Cc1nnc(o1)CC)CC
• Canonical SMILES: CCN(C(=O)CN1C(=O)COc2c1nccc2)Cc1nnc(o1)CC
• InChI: InChI=1S/C16H19N5O4/c1-3-12-18-19-13(25-12)8-20(4-2)14(22)9-21-15(23)10-24-11-6-5-7-17-16(11)21/h5-7H,3-4,8-10H2,1-2H3
• InChIKey: FCWWARFTAMPBTL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-{3-oxo-2H,3H,4H-pyrido[3,2-b][1,4]oxazin-4-yl}acetamide
• IUPAC Traditional name: N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-{3-oxo-2H-pyrido[3,2-b][1,4]oxazin-4-yl}acetamide
• Synonyms: N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(3-oxo-2,3-dihydro-4H-pyrido[3,2-b][1,4]oxazin-4-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.14259
• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -0.92691535
• LogD (pH = 7.4): -0.9266575
• Log P: -0.9266542
• Molar Refractivity: 88.4792 cm^3
• Polarizability: 33.123394 Å^3
• Polar Surface Area: 101.66 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: -0.03
• LOG S: -3.0
• Polar Surface Area: 101.66 Å^2
• Rotatable Bonds: 6