N-[1-(morpholine-4-carbonyl)piperidin-4-yl]-5-(propan-2-yl)-1,2-oxazole-3-carboxamide

• ChemBase ID: 615145
• Molecular Formular: C17H26N4O4
• Molecular Mass: 350.41274
• Monoisotopic Mass: 350.19540533
• SMILES: c1(noc(c1)C(C)C)C(=O)NC1CCN(C(=O)N2CCOCC2)CC1
• Canonical SMILES: CC(c1onc(c1)C(=O)NC1CCN(CC1)C(=O)N1CCOCC1)C
• InChI: InChI=1S/C17H26N4O4/c1-12(2)15-11-14(19-25-15)16(22)18-13-3-5-20(6-4-13)17(23)21-7-9-24-10-8-21/h11-13H,3-10H2,1-2H3,(H,18,22)
• InChIKey: XLQGVISOSUFZDY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(morpholine-4-carbonyl)piperidin-4-yl]-5-(propan-2-yl)-1,2-oxazole-3-carboxamide
• IUPAC Traditional name: 5-isopropyl-N-[1-(morpholine-4-carbonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
• Synonyms: 5-isopropyl-N-[1-(4-morpholinylcarbonyl)-4-piperidinyl]-3-isoxazolecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.51898
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.034020822
• LogD (pH = 7.4): 0.03401813
• Log P: 0.034021057
• Molar Refractivity: 92.5153 cm^3
• Polarizability: 34.70956 Å^3
• Polar Surface Area: 87.91 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.02
• LOG S: -3.05
• Polar Surface Area: 87.91 Å^2
• Rotatable Bonds: 3