4-[1-(5-{[(6-methylpyridin-3-yl)oxy]methyl}-1,2-oxazole-3-carbonyl)piperidin-4-yl]morpholine

• ChemBase ID: 385834
• Molecular Formular: C20H26N4O4
• Molecular Mass: 386.44484
• Monoisotopic Mass: 386.19540533
• SMILES: c1(noc(c1)COc1cnc(cc1)C)C(=O)N1CCC(N2CCOCC2)CC1
• Canonical SMILES: Cc1ccc(cn1)OCc1onc(c1)C(=O)N1CCC(CC1)N1CCOCC1
• InChI: InChI=1S/C20H26N4O4/c1-15-2-3-17(13-21-15)27-14-18-12-19(22-28-18)20(25)24-6-4-16(5-7-24)23-8-10-26-11-9-23/h2-3,12-13,16H,4-11,14H2,1H3
• InChIKey: MIWXSDGGLQVWPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[1-(5-{[(6-methylpyridin-3-yl)oxy]methyl}-1,2-oxazole-3-carbonyl)piperidin-4-yl]morpholine
• IUPAC Traditional name: 4-[1-(5-{[(6-methylpyridin-3-yl)oxy]methyl}-1,2-oxazole-3-carbonyl)piperidin-4-yl]morpholine
• Synonyms: 4-{1-[(5-{[(6-methyl-3-pyridinyl)oxy]methyl}-3-isoxazolyl)carbonyl]-4-piperidinyl}morpholine

CALCULATED PROPERTIES

JChem

• Molar Refractivity: 103.9133 cm^3
• Polarizability: 39.51971 Å^3
• Polar Surface Area: 80.93 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -1.7433113
• LogD (pH = 7.4): -0.01188682
• Log P: 0.23044036

供应商提供(Chembridge)

• Polar Surface Area: 80.93 Å^2
• Rotatable Bonds: 5
• H Acceptors: 7
• H Donor: 0
• Log P: 0.24
• LOG S: -1.76