N-methyl-2-(oxolan-2-ylmethoxy)-N-{[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]methyl}acetamide

• ChemBase ID: 572718
• Molecular Formular: C14H23N3O4
• Molecular Mass: 297.35012
• Monoisotopic Mass: 297.16885623
• SMILES: n1c(noc1C(C)C)CN(C(=O)COCC1OCCC1)C
• Canonical SMILES: O=C(N(Cc1noc(n1)C(C)C)C)COCC1CCCO1
• InChI: InChI=1S/C14H23N3O4/c1-10(2)14-15-12(16-21-14)7-17(3)13(18)9-19-8-11-5-4-6-20-11/h10-11H,4-9H2,1-3H3
• InChIKey: QFGNLMHXIKDYQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-(oxolan-2-ylmethoxy)-N-{[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]methyl}acetamide
• IUPAC Traditional name: N-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(oxolan-2-ylmethoxy)acetamide
• Synonyms: N-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(tetrahydro-2-furanylmethoxy)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 19.77627
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.98985976
• LogD (pH = 7.4): 0.98985976
• Log P: 0.98985976
• Molar Refractivity: 77.3489 cm^3
• Polarizability: 29.422308 Å^3
• Polar Surface Area: 77.69 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 0.15
• LOG S: -2.81
• Polar Surface Area: 77.69 Å^2
• Rotatable Bonds: 7