N-[1-(1-{[5-methyl-2-(thiophen-2-yl)-1,3-oxazol-4-yl]methyl}piperidin-4-yl)-1H-pyrazol-5-yl]acetamide

• ChemBase ID: 740098
• Molecular Formular: C19H23N5O2S
• Molecular Mass: 385.48322
• Monoisotopic Mass: 385.157246
• SMILES: n1c(oc(c1CN1CCC(n2c(NC(=O)C)ccn2)CC1)C)c1sccc1
• Canonical SMILES: CC(=O)Nc1ccnn1C1CCN(CC1)Cc1nc(oc1C)c1cccs1
• InChI: InChI=1S/C19H23N5O2S/c1-13-16(22-19(26-13)17-4-3-11-27-17)12-23-9-6-15(7-10-23)24-18(5-8-20-24)21-14(2)25/h3-5,8,11,15H,6-7,9-10,12H2,1-2H3,(H,21,25)
• InChIKey: KGJLXOMBKQRZLW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(1-{[5-methyl-2-(thiophen-2-yl)-1,3-oxazol-4-yl]methyl}piperidin-4-yl)-1H-pyrazol-5-yl]acetamide
• IUPAC Traditional name: N-[2-(1-{[5-methyl-2-(thiophen-2-yl)-1,3-oxazol-4-yl]methyl}piperidin-4-yl)pyrazol-3-yl]acetamide
• Synonyms: N-[1-(1-{[5-methyl-2-(2-thienyl)-1,3-oxazol-4-yl]methyl}-4-piperidinyl)-1H-pyrazol-5-yl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.613115
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.36173883
• LogD (pH = 7.4): 1.2179993
• Log P: 1.5042294
• Molar Refractivity: 126.4698 cm^3
• Polarizability: 40.095787 Å^3
• Polar Surface Area: 76.19 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.65
• LOG S: -4.99
• Polar Surface Area: 76.19 Å^2
• Rotatable Bonds: 5