N-methyl-1-(3-phenyl-1,2-oxazole-5-carbonyl)-N-[2-(pyridin-2-yl)ethyl]piperidin-3-amine

• ChemBase ID: 317658
• Molecular Formular: C23H26N4O2
• Molecular Mass: 390.47814
• Monoisotopic Mass: 390.20557609
• SMILES: c1(C(=O)N2CC(N(CCc3ncccc3)C)CCC2)cc(no1)c1ccccc1
• Canonical SMILES: CN(C1CCCN(C1)C(=O)c1onc(c1)c1ccccc1)CCc1ccccn1
• InChI: InChI=1S/C23H26N4O2/c1-26(15-12-19-10-5-6-13-24-19)20-11-7-14-27(17-20)23(28)22-16-21(25-29-22)18-8-3-2-4-9-18/h2-6,8-10,13,16,20H,7,11-12,14-15,17H2,1H3
• InChIKey: MHXFKENELHCHME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-1-(3-phenyl-1,2-oxazole-5-carbonyl)-N-[2-(pyridin-2-yl)ethyl]piperidin-3-amine
• IUPAC Traditional name: N-methyl-1-(3-phenyl-1,2-oxazole-5-carbonyl)-N-[2-(pyridin-2-yl)ethyl]piperidin-3-amine
• Synonyms: N-methyl-1-[(3-phenyl-5-isoxazolyl)carbonyl]-N-[2-(2-pyridinyl)ethyl]-3-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.0033784276
• LogD (pH = 7.4): 1.750289
• Log P: 2.8983548
• Molar Refractivity: 112.8767 cm^3
• Polarizability: 44.262627 Å^3
• Polar Surface Area: 62.47 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.88
• LOG S: -3.97
• Polar Surface Area: 62.47 Å^2
• Rotatable Bonds: 6