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

• ChemBase ID: 700480
• Molecular Formular: C21H19N3O4
• Molecular Mass: 377.39326
• Monoisotopic Mass: 377.1375561
• SMILES: c1(noc(c1)COc1c2ncccc2ccc1)C(=O)N(Cc1oc(cc1)C)C
• Canonical SMILES: Cc1ccc(o1)CN(C(=O)c1noc(c1)COc1cccc2c1nccc2)C
• InChI: InChI=1S/C21H19N3O4/c1-14-8-9-16(27-14)12-24(2)21(25)18-11-17(28-23-18)13-26-19-7-3-5-15-6-4-10-22-20(15)19/h3-11H,12-13H2,1-2H3
• InChIKey: XZXMLPVLNONGPF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.649441
• LogD (pH = 7.4): 2.6503608
• Log P: 2.6503727
• Molar Refractivity: 103.0276 cm^3
• Polarizability: 39.788254 Å^3
• Polar Surface Area: 81.6 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 2.92
• LOG S: -4.17
• Polar Surface Area: 81.6 Å^2
• Rotatable Bonds: 6