N,N-dimethyl-3-{[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl}piperidine-3-carboxamide hydrochloride

• ChemBase ID: 62205
• Molecular Formular: C19H26ClN3O2
• Molecular Mass: 363.88164
• Monoisotopic Mass: 363.17135477
• SMILES: C1(C(=O)N(C)C)(Cc2cc(no2)c2ccc(cc2)C)CNCCC1.Cl
• Canonical SMILES: Cc1ccc(cc1)c1noc(c1)CC1(CCCNC1)C(=O)N(C)C.Cl
• InChI: InChI=1S/C19H25N3O2.ClH/c1-14-5-7-15(8-6-14)17-11-16(24-21-17)12-19(18(23)22(2)3)9-4-10-20-13-19;/h5-8,11,20H,4,9-10,12-13H2,1-3H3;1H
• InChIKey: RXXQAPGNLHWCJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-3-{[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl}piperidine-3-carboxamide hydrochloride
• IUPAC Traditional name: N,N-dimethyl-3-{[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl}piperidine-3-carboxamide hydrochloride
• Synonyms: 3-(3-p-Tolyl-isoxazol-5-ylmethyl)-piperidine-3-carboxylic acid dimethylamide hydrochloride

Database IDs

• MDL Number: MFCD16621958
• PubChem SID: 162027944
• PubChem CID: 71298586

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.6498289
• LogD (pH = 7.4): 0.60038966
• Log P: 2.4860723
• Molar Refractivity: 95.0128 cm^3
• Polarizability: 37.611877 Å^3
• Polar Surface Area: 58.37 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false