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

• ChemBase ID: 720592
• Molecular Formular: C19H16N4O3S
• Molecular Mass: 380.42034
• Monoisotopic Mass: 380.09431139
• SMILES: c1(nc(oc1)COc1c2ncccc2ccc1)C(=O)NCc1nc(cs1)C
• Canonical SMILES: Cc1csc(n1)CNC(=O)c1coc(n1)COc1cccc2c1nccc2
• InChI: InChI=1S/C19H16N4O3S/c1-12-11-27-17(22-12)8-21-19(24)14-9-26-16(23-14)10-25-15-6-2-4-13-5-3-7-20-18(13)15/h2-7,9,11H,8,10H2,1H3,(H,21,24)
• InChIKey: JGANGDFZZZFDGJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.951833
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.7596564
• LogD (pH = 7.4): 1.760705
• Log P: 1.7607293
• Molar Refractivity: 98.4341 cm^3
• Polarizability: 38.86502 Å^3
• Polar Surface Area: 90.14 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: 2.4
• LOG S: -4.97
• Polar Surface Area: 90.14 Å^2
• Rotatable Bonds: 6