1-[(dimethyl-1,2-oxazol-4-yl)methyl]-2-(3-methoxyphenyl)piperidine

• ChemBase ID: 406653
• Molecular Formular: C18H24N2O2
• Molecular Mass: 300.39536
• Monoisotopic Mass: 300.18377802
• SMILES: c1(CN2C(c3cc(OC)ccc3)CCCC2)c(onc1C)C
• Canonical SMILES: COc1cccc(c1)C1CCCCN1Cc1c(C)noc1C
• InChI: InChI=1S/C18H24N2O2/c1-13-17(14(2)22-19-13)12-20-10-5-4-9-18(20)15-7-6-8-16(11-15)21-3/h6-8,11,18H,4-5,9-10,12H2,1-3H3
• InChIKey: YQYWMWAPOVWJLH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(dimethyl-1,2-oxazol-4-yl)methyl]-2-(3-methoxyphenyl)piperidine
• IUPAC Traditional name: 1-[(dimethyl-1,2-oxazol-4-yl)methyl]-2-(3-methoxyphenyl)piperidine
• Synonyms: 1-[(3,5-dimethyl-4-isoxazolyl)methyl]-2-(3-methoxyphenyl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.4616941
• LogD (pH = 7.4): 2.2357807
• Log P: 3.0870545
• Molar Refractivity: 88.6719 cm^3
• Polarizability: 33.78657 Å^3
• Polar Surface Area: 38.5 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.88
• LOG S: -2.84
• Polar Surface Area: 38.5 Å^2
• Rotatable Bonds: 4