4-{[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}thiomorpholine

• ChemBase ID: 396054
• Molecular Formular: C15H17FN2OS
• Molecular Mass: 292.3716832
• Monoisotopic Mass: 292.10456239
• SMILES: n1c(c(oc1c1ccc(cc1)F)C)CN1CCSCC1
• Canonical SMILES: Fc1ccc(cc1)c1nc(c(o1)C)CN1CCSCC1
• InChI: InChI=1S/C15H17FN2OS/c1-11-14(10-18-6-8-20-9-7-18)17-15(19-11)12-2-4-13(16)5-3-12/h2-5H,6-10H2,1H3
• InChIKey: VWHJYHBTGMJRDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.1408429
• LogD (pH = 7.4): 2.5158591
• Log P: 2.666198
• Molar Refractivity: 90.6157 cm^3
• Polarizability: 31.06344 Å^3
• Polar Surface Area: 29.27 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.78
• LOG S: -3.05
• Polar Surface Area: 29.27 Å^2
• Rotatable Bonds: 3