2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]piperidine

• ChemBase ID: 635495
• Molecular Formular: C18H26N4O4
• Molecular Mass: 362.42344
• Monoisotopic Mass: 362.19540533
• SMILES: c1(C(=O)N2C(c3nc(no3)CCOC)CCCC2)cc(no1)CC(C)C
• Canonical SMILES: COCCc1noc(n1)C1CCCCN1C(=O)c1onc(c1)CC(C)C
• InChI: InChI=1S/C18H26N4O4/c1-12(2)10-13-11-15(25-20-13)18(23)22-8-5-4-6-14(22)17-19-16(21-26-17)7-9-24-3/h11-12,14H,4-10H2,1-3H3
• InChIKey: RXMUBGQVCHQNNL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]piperidine
• IUPAC Traditional name: 2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]piperidine
• Synonyms: 1-[(3-isobutyl-5-isoxazolyl)carbonyl]-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.2946463
• LogD (pH = 7.4): 2.294647
• Log P: 2.294647
• Molar Refractivity: 96.8375 cm^3
• Polarizability: 35.87096 Å^3
• Polar Surface Area: 94.49 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 0.1
• LOG S: -3.24
• Polar Surface Area: 94.49 Å^2
• Rotatable Bonds: 7