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

• ChemBase ID: 425489
• Molecular Formular: C19H19N3O4
• Molecular Mass: 353.37186
• Monoisotopic Mass: 353.1375561
• SMILES: c1(C(=O)N(C2CCOC2)C)noc(c1)COc1c2ncccc2ccc1
• Canonical SMILES: CN(C(=O)c1noc(c1)COc1cccc2c1nccc2)C1COCC1
• InChI: InChI=1S/C19H19N3O4/c1-22(14-7-9-24-11-14)19(23)16-10-15(26-21-16)12-25-17-6-2-4-13-5-3-8-20-18(13)17/h2-6,8,10,14H,7,9,11-12H2,1H3
• InChIKey: GUPRDXDYWGVNAM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-(oxolan-3-yl)-5-[(quinolin-8-yloxy)methyl]-1,2-oxazole-3-carboxamide
• IUPAC Traditional name: N-methyl-N-(oxolan-3-yl)-5-[(quinolin-8-yloxy)methyl]-1,2-oxazole-3-carboxamide
• Synonyms: N-methyl-5-[(8-quinolinyloxy)methyl]-N-(tetrahydro-3-furanyl)-3-isoxazolecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.5663862
• LogD (pH = 7.4): 1.5673062
• Log P: 1.567318
• Molar Refractivity: 94.4845 cm^3
• Polarizability: 37.060028 Å^3
• Polar Surface Area: 77.69 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.31
• LOG S: -2.7
• Polar Surface Area: 77.69 Å^2
• Rotatable Bonds: 5