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

• ChemBase ID: 817523
• Molecular Formular: C21H28FN3O3
• Molecular Mass: 389.4637232
• Monoisotopic Mass: 389.21146999
• SMILES: c1(nc(c(o1)C)CN1CCC(N2CCOCC2)CC1)c1c(cc(cc1)OC)F
• Canonical SMILES: COc1ccc(c(c1)F)c1oc(c(n1)CN1CCC(CC1)N1CCOCC1)C
• InChI: InChI=1S/C21H28FN3O3/c1-15-20(23-21(28-15)18-4-3-17(26-2)13-19(18)22)14-24-7-5-16(6-8-24)25-9-11-27-12-10-25/h3-4,13,16H,5-12,14H2,1-2H3
• InChIKey: IEFYRIDWPJXVLX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -1.1146512
• LogD (pH = 7.4): 1.0462726
• Log P: 1.9556738
• Molar Refractivity: 116.2444 cm^3
• Polarizability: 41.23738 Å^3
• Polar Surface Area: 50.97 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: 2.16
• LOG S: -1.5
• Polar Surface Area: 50.97 Å^2
• Rotatable Bonds: 4