N-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-2-(dimethyl-1,2-oxazol-4-yl)acetamide

• ChemBase ID: 467238
• Molecular Formular: C19H22N4O2S
• Molecular Mass: 370.46858
• Monoisotopic Mass: 370.14634696
• SMILES: c1(nc2c(s1)cccc2)N1CC(NC(=O)Cc2c(onc2C)C)CCC1
• Canonical SMILES: O=C(Cc1c(C)onc1C)NC1CCCN(C1)c1nc2c(s1)cccc2
• InChI: InChI=1S/C19H22N4O2S/c1-12-15(13(2)25-22-12)10-18(24)20-14-6-5-9-23(11-14)19-21-16-7-3-4-8-17(16)26-19/h3-4,7-8,14H,5-6,9-11H2,1-2H3,(H,20,24)
• InChIKey: XAIOOZFFGYUMFQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-2-(dimethyl-1,2-oxazol-4-yl)acetamide
• IUPAC Traditional name: N-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-2-(dimethyl-1,2-oxazol-4-yl)acetamide
• Synonyms: N-[1-(1,3-benzothiazol-2-yl)-3-piperidinyl]-2-(3,5-dimethyl-4-isoxazolyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.955538
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.9225037
• LogD (pH = 7.4): 2.9230032
• Log P: 2.9230096
• Molar Refractivity: 101.5405 cm^3
• Polarizability: 39.22706 Å^3
• Polar Surface Area: 71.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.11
• LOG S: -5.37
• Polar Surface Area: 71.26 Å^2
• Rotatable Bonds: 4