4-(2-chlorophenoxy)-1-(dimethyl-1,2-oxazole-4-carbonyl)piperidine

• ChemBase ID: 673953
• Molecular Formular: C17H19ClN2O3
• Molecular Mass: 334.79736
• Monoisotopic Mass: 334.10842016
• SMILES: c1(C(=O)N2CCC(Oc3c(Cl)cccc3)CC2)c(onc1C)C
• Canonical SMILES: Clc1ccccc1OC1CCN(CC1)C(=O)c1c(C)noc1C
• InChI: InChI=1S/C17H19ClN2O3/c1-11-16(12(2)23-19-11)17(21)20-9-7-13(8-10-20)22-15-6-4-3-5-14(15)18/h3-6,13H,7-10H2,1-2H3
• InChIKey: OZWMMXCLVVVOEX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-chlorophenoxy)-1-(dimethyl-1,2-oxazole-4-carbonyl)piperidine
• IUPAC Traditional name: 4-(2-chlorophenoxy)-1-(dimethyl-1,2-oxazole-4-carbonyl)piperidine
• Synonyms: 4-(2-chlorophenoxy)-1-[(3,5-dimethyl-4-isoxazolyl)carbonyl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.2229617
• LogD (pH = 7.4): 2.222971
• Log P: 2.222971
• Molar Refractivity: 88.902 cm^3
• Polarizability: 33.37066 Å^3
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.95
• LOG S: -3.31
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 3