N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-2-[1-(propan-2-yl)piperidin-4-yl]acetamide

• ChemBase ID: 638228
• Molecular Formular: C16H29N3O2
• Molecular Mass: 295.42036
• Monoisotopic Mass: 295.22597718
• SMILES: N1=C(CC(O1)CNC(=O)CC1CCN(CC1)C(C)C)CC
• Canonical SMILES: CCC1=NOC(C1)CNC(=O)CC1CCN(CC1)C(C)C
• InChI: InChI=1S/C16H29N3O2/c1-4-14-10-15(21-18-14)11-17-16(20)9-13-5-7-19(8-6-13)12(2)3/h12-13,15H,4-11H2,1-3H3,(H,17,20)
• InChIKey: JXVBJAIYXXJECL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-2-[1-(propan-2-yl)piperidin-4-yl]acetamide
• IUPAC Traditional name: N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-2-(1-isopropylpiperidin-4-yl)acetamide
• Synonyms: N-[(3-ethyl-4,5-dihydroisoxazol-5-yl)methyl]-2-(1-isopropylpiperidin-4-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.976022
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.6952633
• LogD (pH = 7.4): -0.2620417
• Log P: 1.6628381
• Molar Refractivity: 83.7986 cm^3
• Polarizability: 32.896866 Å^3
• Polar Surface Area: 53.93 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.27
• LOG S: -2.44
• Polar Surface Area: 53.93 Å^2
• Rotatable Bonds: 6