1-(dimethyl-1,3-oxazole-4-carbonyl)-3-(4-methylphenoxymethyl)piperidine

• ChemBase ID: 695966
• Molecular Formular: C19H24N2O3
• Molecular Mass: 328.40546
• Monoisotopic Mass: 328.17869264
• SMILES: c1(C(=O)N2CC(COc3ccc(cc3)C)CCC2)nc(oc1C)C
• Canonical SMILES: Cc1ccc(cc1)OCC1CCCN(C1)C(=O)c1nc(oc1C)C
• InChI: InChI=1S/C19H24N2O3/c1-13-6-8-17(9-7-13)23-12-16-5-4-10-21(11-16)19(22)18-14(2)24-15(3)20-18/h6-9,16H,4-5,10-12H2,1-3H3
• InChIKey: ZDWHMADFIOEKST-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(dimethyl-1,3-oxazole-4-carbonyl)-3-(4-methylphenoxymethyl)piperidine
• IUPAC Traditional name: 1-(dimethyl-1,3-oxazole-4-carbonyl)-3-(4-methylphenoxymethyl)piperidine
• Synonyms: 1-[(2,5-dimethyl-1,3-oxazol-4-yl)carbonyl]-3-[(4-methylphenoxy)methyl]piperidine

CALCULATED PROPERTIES

JChem

• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.589396
• LogD (pH = 7.4): 2.589396
• Log P: 2.589396
• Molar Refractivity: 92.6022 cm^3
• Polarizability: 35.0455 Å^3
• Polar Surface Area: 55.57 Å^2

供应商提供(Chembridge)

• Rotatable Bonds: 4
• H Acceptors: 4
• H Donor: 0
• Log P: 1.47
• LOG S: -2.85
• Polar Surface Area: 55.57 Å^2