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

• ChemBase ID: 844887
• Molecular Formular: C18H23FN2O3
• Molecular Mass: 334.3852232
• Monoisotopic Mass: 334.16927083
• SMILES: c1(nc(c(o1)C)CN1CC(OC)CCC1)c1c(ccc(c1)OC)F
• Canonical SMILES: COC1CCCN(C1)Cc1nc(oc1C)c1cc(OC)ccc1F
• InChI: InChI=1S/C18H23FN2O3/c1-12-17(11-21-8-4-5-14(10-21)23-3)20-18(24-12)15-9-13(22-2)6-7-16(15)19/h6-7,9,14H,4-5,8,10-11H2,1-3H3
• InChIKey: WOQDVTAMDVHARU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.5176826
• LogD (pH = 7.4): 2.1778297
• Log P: 2.565957
• Molar Refractivity: 99.9735 cm^3
• Polarizability: 34.92319 Å^3
• Polar Surface Area: 47.73 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.35
• LOG S: -2.64
• Polar Surface Area: 47.73 Å^2
• Rotatable Bonds: 5