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

• ChemBase ID: 518851
• Molecular Formular: C19H19N3O3
• Molecular Mass: 337.37246
• Monoisotopic Mass: 337.14264148
• SMILES: c1(nc(oc1)COc1c2ncccc2ccc1)C(=O)NC(C1CC1)C
• Canonical SMILES: CC(C1CC1)NC(=O)c1coc(n1)COc1cccc2c1nccc2
• InChI: InChI=1S/C19H19N3O3/c1-12(13-7-8-13)21-19(23)15-10-25-17(22-15)11-24-16-6-2-4-14-5-3-9-20-18(14)16/h2-6,9-10,12-13H,7-8,11H2,1H3,(H,21,23)
• InChIKey: RKHICIWBIIRYFF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.336844
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.3691545
• LogD (pH = 7.4): 2.370063
• Log P: 2.370079
• Molar Refractivity: 91.0554 cm^3
• Polarizability: 36.351994 Å^3
• Polar Surface Area: 77.25 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.87
• LOG S: -4.58
• Polar Surface Area: 77.25 Å^2
• Rotatable Bonds: 6