N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-1-(pyridine-2-carbonyl)piperidin-4-amine

• ChemBase ID: 501916
• Molecular Formular: C18H24N4O2
• Molecular Mass: 328.40876
• Monoisotopic Mass: 328.18992603
• SMILES: C(=O)(N1CCC(N(Cc2onc(c2)CC)C)CC1)c1ncccc1
• Canonical SMILES: CCc1noc(c1)CN(C1CCN(CC1)C(=O)c1ccccn1)C
• InChI: InChI=1S/C18H24N4O2/c1-3-14-12-16(24-20-14)13-21(2)15-7-10-22(11-8-15)18(23)17-6-4-5-9-19-17/h4-6,9,12,15H,3,7-8,10-11,13H2,1-2H3
• InChIKey: SOXMTDRJBMDZQW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-1-(pyridine-2-carbonyl)piperidin-4-amine
• IUPAC Traditional name: N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-1-(pyridine-2-carbonyl)piperidin-4-amine
• Synonyms: N-[(3-ethylisoxazol-5-yl)methyl]-N-methyl-1-(pyridin-2-ylcarbonyl)piperidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.3650551
• LogD (pH = 7.4): 0.4086638
• Log P: 1.307148
• Molar Refractivity: 93.0025 cm^3
• Polarizability: 35.142643 Å^3
• Polar Surface Area: 62.47 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.66
• LOG S: -2.16
• Polar Surface Area: 62.47 Å^2
• Rotatable Bonds: 5