3-methoxy-N-{2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl}benzamide

• ChemBase ID: 485753
• Molecular Formular: C16H19N3O4
• Molecular Mass: 317.33976
• Monoisotopic Mass: 317.1375561
• SMILES: n1c(noc1CCNC(=O)c1cc(OC)ccc1)C1COCC1
• Canonical SMILES: COc1cccc(c1)C(=O)NCCc1onc(n1)C1COCC1
• InChI: InChI=1S/C16H19N3O4/c1-21-13-4-2-3-11(9-13)16(20)17-7-5-14-18-15(19-23-14)12-6-8-22-10-12/h2-4,9,12H,5-8,10H2,1H3,(H,17,20)
• InChIKey: NJRKPTCXZAIYFO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxy-N-{2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl}benzamide
• IUPAC Traditional name: 3-methoxy-N-{2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl}benzamide
• Synonyms: 3-methoxy-N-{2-[3-(tetrahydrofuran-3-yl)-1,2,4-oxadiazol-5-yl]ethyl}benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.603873
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.2357713
• LogD (pH = 7.4): 1.2357714
• Log P: 1.2357714
• Molar Refractivity: 84.3715 cm^3
• Polarizability: 31.393475 Å^3
• Polar Surface Area: 86.48 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 0.13
• LOG S: -2.94
• Polar Surface Area: 86.48 Å^2
• Rotatable Bonds: 6