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

• ChemBase ID: 454306
• Molecular Formular: C20H19N5O3
• Molecular Mass: 377.39656
• Monoisotopic Mass: 377.14878949
• SMILES: c1(noc(c1)COc1c2ncccc2ccc1)C(=O)N(Cc1n(ccn1)C)C
• Canonical SMILES: CN(C(=O)c1noc(c1)COc1cccc2c1nccc2)Cc1nccn1C
• InChI: InChI=1S/C20H19N5O3/c1-24-10-9-21-18(24)12-25(2)20(26)16-11-15(28-23-16)13-27-17-7-3-5-14-6-4-8-22-19(14)17/h3-11H,12-13H2,1-2H3
• InChIKey: ZAIOYUQMQGYZCL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.0192926
• LogD (pH = 7.4): 1.5512553
• Log P: 1.5689372
• Molar Refractivity: 102.6655 cm^3
• Polarizability: 39.73573 Å^3
• Polar Surface Area: 86.28 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 1.09
• LOG S: -3.44
• Polar Surface Area: 86.28 Å^2
• Rotatable Bonds: 6