5-{[3-(4-benzylpiperidine-1-carbonyl)-1,2-oxazol-5-yl]methoxy}-2-methylpyridine

• ChemBase ID: 402672
• Molecular Formular: C23H25N3O3
• Molecular Mass: 391.4629
• Monoisotopic Mass: 391.18959168
• SMILES: c1(noc(c1)COc1cnc(cc1)C)C(=O)N1CCC(Cc2ccccc2)CC1
• Canonical SMILES: Cc1ccc(cn1)OCc1onc(c1)C(=O)N1CCC(CC1)Cc1ccccc1
• InChI: InChI=1S/C23H25N3O3/c1-17-7-8-20(15-24-17)28-16-21-14-22(25-29-21)23(27)26-11-9-19(10-12-26)13-18-5-3-2-4-6-18/h2-8,14-15,19H,9-13,16H2,1H3
• InChIKey: PKFHPOMOUUVXRZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{[3-(4-benzylpiperidine-1-carbonyl)-1,2-oxazol-5-yl]methoxy}-2-methylpyridine
• IUPAC Traditional name: 5-{[3-(4-benzylpiperidine-1-carbonyl)-1,2-oxazol-5-yl]methoxy}-2-methylpyridine
• Synonyms: 5-({3-[(4-benzyl-1-piperidinyl)carbonyl]-5-isoxazolyl}methoxy)-2-methylpyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.9291804
• LogD (pH = 7.4): 3.1344557
• Log P: 3.1378925
• Molar Refractivity: 110.7743 cm^3
• Polarizability: 41.971928 Å^3
• Polar Surface Area: 68.46 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: 3.42
• LOG S: -5.27
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 6