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

• ChemBase ID: 572646
• Molecular Formular: C18H22N2O4
• Molecular Mass: 330.37828
• Monoisotopic Mass: 330.15795719
• SMILES: c1(C(=O)N2CCC(Oc3c(OC)cccc3)CC2)c(onc1C)C
• Canonical SMILES: COc1ccccc1OC1CCN(CC1)C(=O)c1c(C)noc1C
• InChI: InChI=1S/C18H22N2O4/c1-12-17(13(2)24-19-12)18(21)20-10-8-14(9-11-20)23-16-7-5-4-6-15(16)22-3/h4-7,14H,8-11H2,1-3H3
• InChIKey: GZIBRMQIFPNFRO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.4612458
• LogD (pH = 7.4): 1.461255
• Log P: 1.4612551
• Molar Refractivity: 90.5604 cm^3
• Polarizability: 33.98327 Å^3
• Polar Surface Area: 64.8 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.23
• LOG S: -2.66
• Polar Surface Area: 64.8 Å^2
• Rotatable Bonds: 4