N-[(6-hydroxypyrimidin-4-yl)methyl]-2-[(quinolin-8-yloxy)methyl]-1,3-oxazole-4-carboxamide

• ChemBase ID: 416033
• Molecular Formular: C19H15N5O4
• Molecular Mass: 377.3535
• Monoisotopic Mass: 377.11240399
• SMILES: c1(nc(oc1)COc1c2ncccc2ccc1)C(=O)NCc1cc(ncn1)O
• Canonical SMILES: Oc1ncnc(c1)CNC(=O)c1coc(n1)COc1cccc2c1nccc2
• InChI: InChI=1S/C19H15N5O4/c25-16-7-13(22-11-23-16)8-21-19(26)14-9-28-17(24-14)10-27-15-5-1-3-12-4-2-6-20-18(12)15/h1-7,9,11H,8,10H2,(H,21,26)(H,22,23,25)
• InChIKey: PJTZCGQLKTZUQH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(6-hydroxypyrimidin-4-yl)methyl]-2-[(quinolin-8-yloxy)methyl]-1,3-oxazole-4-carboxamide
• IUPAC Traditional name: N-[(6-hydroxypyrimidin-4-yl)methyl]-2-[(quinolin-8-yloxy)methyl]-1,3-oxazole-4-carboxamide
• Synonyms: N-[(6-hydroxypyrimidin-4-yl)methyl]-2-[(quinolin-8-yloxy)methyl]-1,3-oxazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.520419
• H Acceptors: 7
• H Donor: 2
• LogD (pH = 5.5): 1.3453271
• LogD (pH = 7.4): 1.3462106
• Log P: 1.3462538
• Molar Refractivity: 97.7437 cm^3
• Polarizability: 38.157204 Å^3
• Polar Surface Area: 123.26 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 8
• H Donor: 2
• Log P: -1.49
• LOG S: -1.99
• Polar Surface Area: 123.26 Å^2
• Rotatable Bonds: 6