4-(1-{[2-(4-fluoro-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperidine-4-carbonyl)morpholine

• ChemBase ID: 313990
• Molecular Formular: C22H28FN3O4
• Molecular Mass: 417.4738232
• Monoisotopic Mass: 417.20638461
• SMILES: n1c(c(oc1c1cc(c(cc1)F)OC)C)CN1CCC(C(=O)N2CCOCC2)CC1
• Canonical SMILES: COc1cc(ccc1F)c1oc(c(n1)CN1CCC(CC1)C(=O)N1CCOCC1)C
• InChI: InChI=1S/C22H28FN3O4/c1-15-19(24-21(30-15)17-3-4-18(23)20(13-17)28-2)14-25-7-5-16(6-8-25)22(27)26-9-11-29-12-10-26/h3-4,13,16H,5-12,14H2,1-2H3
• InChIKey: DPFMNTCONPFQBY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(1-{[2-(4-fluoro-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperidine-4-carbonyl)morpholine
• IUPAC Traditional name: 4-(1-{[2-(4-fluoro-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperidine-4-carbonyl)morpholine
• Synonyms: 4-[(1-{[2-(4-fluoro-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-4-piperidinyl)carbonyl]morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.5207937
• LogD (pH = 7.4): 1.1790448
• Log P: 1.6423879
• Molar Refractivity: 120.7908 cm^3
• Polarizability: 42.792057 Å^3
• Polar Surface Area: 68.04 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: 1.07
• LOG S: -2.06
• Polar Surface Area: 68.04 Å^2
• Rotatable Bonds: 4