4-(2-methoxyethoxy)-1-{[2-(propan-2-yl)-1,3-oxazol-4-yl]methyl}piperidine

• ChemBase ID: 794501
• Molecular Formular: C15H26N2O3
• Molecular Mass: 282.37854
• Monoisotopic Mass: 282.1943427
• SMILES: n1c(occ1CN1CCC(CC1)OCCOC)C(C)C
• Canonical SMILES: COCCOC1CCN(CC1)Cc1coc(n1)C(C)C
• InChI: InChI=1S/C15H26N2O3/c1-12(2)15-16-13(11-20-15)10-17-6-4-14(5-7-17)19-9-8-18-3/h11-12,14H,4-10H2,1-3H3
• InChIKey: HNHQTCLTJKYKSN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-methoxyethoxy)-1-{[2-(propan-2-yl)-1,3-oxazol-4-yl]methyl}piperidine
• IUPAC Traditional name: 1-[(2-isopropyl-1,3-oxazol-4-yl)methyl]-4-(2-methoxyethoxy)piperidine
• Synonyms: 1-[(2-isopropyl-1,3-oxazol-4-yl)methyl]-4-(2-methoxyethoxy)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.32119995
• LogD (pH = 7.4): 1.0639468
• Log P: 1.2188033
• Molar Refractivity: 77.949 cm^3
• Polarizability: 30.518507 Å^3
• Polar Surface Area: 47.73 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.42
• LOG S: -0.61
• Polar Surface Area: 47.73 Å^2
• Rotatable Bonds: 7