N-[(4-methyl-1,2,3-thiadiazol-5-yl)methyl]-2-[(quinolin-8-yloxy)methyl]-1,3-oxazole-4-carboxamide

• ChemBase ID: 316027
• Molecular Formular: C18H15N5O3S
• Molecular Mass: 381.4084
• Monoisotopic Mass: 381.08956037
• SMILES: c1(nc(oc1)COc1c2ncccc2ccc1)C(=O)NCc1c(nns1)C
• Canonical SMILES: O=C(c1coc(n1)COc1cccc2c1nccc2)NCc1snnc1C
• InChI: InChI=1S/C18H15N5O3S/c1-11-15(27-23-22-11)8-20-18(24)13-9-26-16(21-13)10-25-14-6-2-4-12-5-3-7-19-17(12)14/h2-7,9H,8,10H2,1H3,(H,20,24)
• InChIKey: XZEYTLVNLIGVTA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(4-methyl-1,2,3-thiadiazol-5-yl)methyl]-2-[(quinolin-8-yloxy)methyl]-1,3-oxazole-4-carboxamide
• IUPAC Traditional name: N-[(4-methyl-1,2,3-thiadiazol-5-yl)methyl]-2-[(quinolin-8-yloxy)methyl]-1,3-oxazole-4-carboxamide
• Synonyms: N-[(4-methyl-1,2,3-thiadiazol-5-yl)methyl]-2-[(quinolin-8-yloxy)methyl]-1,3-oxazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.952987
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 1.7490215
• LogD (pH = 7.4): 1.7499248
• Log P: 1.7499472
• Molar Refractivity: 97.9808 cm^3
• Polarizability: 38.043613 Å^3
• Polar Surface Area: 103.03 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 0.88
• LOG S: -2.73
• Polar Surface Area: 103.03 Å^2
• Rotatable Bonds: 6