N-ethyl-N-{[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl}-2-(morpholin-2-yl)acetamide

• ChemBase ID: 348654
• Molecular Formular: C15H26N4O3
• Molecular Mass: 310.39194
• Monoisotopic Mass: 310.20049071
• SMILES: n1c(noc1CC(C)C)CN(C(=O)CC1OCCNC1)CC
• Canonical SMILES: CCN(C(=O)CC1CNCCO1)Cc1noc(n1)CC(C)C
• InChI: InChI=1S/C15H26N4O3/c1-4-19(15(20)8-12-9-16-5-6-21-12)10-13-17-14(22-18-13)7-11(2)3/h11-12,16H,4-10H2,1-3H3
• InChIKey: FLLZJODGOOQONX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-N-{[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl}-2-(morpholin-2-yl)acetamide
• IUPAC Traditional name: N-ethyl-N-{[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl}-2-(morpholin-2-yl)acetamide
• Synonyms: N-ethyl-N-[(5-isobutyl-1,2,4-oxadiazol-3-yl)methyl]-2-morpholin-2-ylacetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.9198769
• LogD (pH = 7.4): -0.19324875
• Log P: 0.88531107
• Molar Refractivity: 83.5429 cm^3
• Polarizability: 32.046024 Å^3
• Polar Surface Area: 80.49 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 0.55
• LOG S: -1.93
• Polar Surface Area: 80.49 Å^2
• Rotatable Bonds: 7