N-methyl-N-(oxolan-2-ylmethyl)-2-[(quinolin-6-yloxy)methyl]-1,3-oxazole-4-carboxamide

• ChemBase ID: 692416
• Molecular Formular: C20H21N3O4
• Molecular Mass: 367.39844
• Monoisotopic Mass: 367.15320617
• SMILES: c1(nc(oc1)COc1cc2c(nccc2)cc1)C(=O)N(CC1OCCC1)C
• Canonical SMILES: CN(C(=O)c1coc(n1)COc1ccc2c(c1)cccn2)CC1CCCO1
• InChI: InChI=1S/C20H21N3O4/c1-23(11-16-5-3-9-25-16)20(24)18-12-27-19(22-18)13-26-15-6-7-17-14(10-15)4-2-8-21-17/h2,4,6-8,10,12,16H,3,5,9,11,13H2,1H3
• InChIKey: UCSPDPGTUXLVFB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-(oxolan-2-ylmethyl)-2-[(quinolin-6-yloxy)methyl]-1,3-oxazole-4-carboxamide
• IUPAC Traditional name: N-methyl-N-(oxolan-2-ylmethyl)-2-[(quinolin-6-yloxy)methyl]-1,3-oxazole-4-carboxamide
• Synonyms: N-methyl-2-[(quinolin-6-yloxy)methyl]-N-(tetrahydrofuran-2-ylmethyl)-1,3-oxazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.7631001
• LogD (pH = 7.4): 1.8144915
• Log P: 1.815192
• Molar Refractivity: 97.846 cm^3
• Polarizability: 38.887394 Å^3
• Polar Surface Area: 77.69 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: -0.32
• LOG S: -2.92
• Polar Surface Area: 77.69 Å^2
• Rotatable Bonds: 6