N-[1-({5-methyl-2-[4-(methylsulfanyl)phenyl]-1,3-oxazol-4-yl}methyl)piperidin-4-yl]acetamide

• ChemBase ID: 641885
• Molecular Formular: C19H25N3O2S
• Molecular Mass: 359.4857
• Monoisotopic Mass: 359.16674806
• SMILES: n1c(c(oc1c1ccc(SC)cc1)C)CN1CCC(NC(=O)C)CC1
• Canonical SMILES: CSc1ccc(cc1)c1oc(c(n1)CN1CCC(CC1)NC(=O)C)C
• InChI: InChI=1S/C19H25N3O2S/c1-13-18(12-22-10-8-16(9-11-22)20-14(2)23)21-19(24-13)15-4-6-17(25-3)7-5-15/h4-7,16H,8-12H2,1-3H3,(H,20,23)
• InChIKey: OMLJUYSMYHIANY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-({5-methyl-2-[4-(methylsulfanyl)phenyl]-1,3-oxazol-4-yl}methyl)piperidin-4-yl]acetamide
• IUPAC Traditional name: N-[1-({5-methyl-2-[4-(methylsulfanyl)phenyl]-1,3-oxazol-4-yl}methyl)piperidin-4-yl]acetamide
• Synonyms: N-[1-({5-methyl-2-[4-(methylthio)phenyl]-1,3-oxazol-4-yl}methyl)piperidin-4-yl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.366795
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.10839829
• LogD (pH = 7.4): 1.501525
• Log P: 1.8205789
• Molar Refractivity: 112.6237 cm^3
• Polarizability: 39.967304 Å^3
• Polar Surface Area: 58.37 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.42
• LOG S: -3.89
• Polar Surface Area: 58.37 Å^2
• Rotatable Bonds: 5