[2-[5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-yl]phenyl] acetate

C₁₆H₁₀F₂N₂O₃ — CID 135391526

About [2-[5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-yl]phenyl] acetate

[2-[5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-yl]phenyl] acetate (PubChem CID 135391526) has the molecular formula C₁₆H₁₀F₂N₂O₃ and a molecular weight of 316.26 g/mol. Its IUPAC name is [2-[5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-yl]phenyl] acetate.

Molecular Properties

• Compound Name: [2-[5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-yl]phenyl] acetate
• PubChem CID: 135391526
• Molecular Formula: C₁₆H₁₀F₂N₂O₃
• Molecular Weight: 316.26 g/mol
• Exact Mass: 316.07
• IUPAC Name: [2-[5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-yl]phenyl] acetate
• SMILES: CC(=O)Oc1ccccc1-c1nnc(-c2c(F)cccc2F)o1
• InChI: InChI=1S/C16H10F2N2O3/c1-9(21)22-13-8-3-2-5-10(13)15-19-20-16(23-15)14-11(17)6-4-7-12(14)18/h2-8H,1H3
• InChIKey: KCNODYKMAXAXMY-UHFFFAOYSA-N
• XLogP: 3.61
• TPSA: 65.22 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	316.26
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-[5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-yl]phenyl] acetate?

The IUPAC name of [2-[5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-yl]phenyl] acetate (CID 135391526) is [2-[5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-yl]phenyl] acetate.

What is the SMILES notation for [2-[5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-yl]phenyl] acetate?

The canonical SMILES for [2-[5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-yl]phenyl] acetate is CC(=O)Oc1ccccc1-c1nnc(-c2c(F)cccc2F)o1.

What is the InChIKey of [2-[5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-yl]phenyl] acetate?

The InChIKey is KCNODYKMAXAXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F2N2O3/c1-9(21)22-13-8-3-2-5-10(13)15-19-20-16(23-15)14-11(17)6-4-7-12(14)18/h2-8H,1H3.

What are the key properties of [2-[5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-yl]phenyl] acetate?

[2-[5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-yl]phenyl] acetate has a molecular weight of 316.26 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-yl]phenyl] acetate is sourced from PubChem (CID 135391526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 135391526 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.