2-[2,6-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]ethyl acetate

C20H12Cl3F3N4O4 — CID 46234537

About 2-[2,6-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]ethyl acetate

2-[2,6-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]ethyl acetate (PubChem CID 46234537) has the molecular formula C20H12Cl3F3N4O4 and a molecular weight of 535.69 g/mol. Its IUPAC name is 2-[2,6-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]ethyl acetate.

Molecular Properties

• Compound Name: 2-[2,6-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]ethyl acetate
• PubChem CID: 46234537
• Molecular Formula: C20H12Cl3F3N4O4
• Molecular Weight: 535.69 g/mol
• Exact Mass: 533.99
• IUPAC Name: 2-[2,6-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]ethyl acetate
• SMILES: CC(=O)OCCOc1c(Cl)cc(-c2noc(-c3cn4cc(C(F)(F)F)cc(Cl)c4n3)n2)cc1Cl
• InChI: InChI=1S/C20H12Cl3F3N4O4/c1-9(31)32-2-3-33-16-12(21)4-10(5-13(16)22)17-28-19(34-29-17)15-8-30-7-11(20(24,25)26)6-14(23)18(30)27-15/h4-8H,2-3H2,1H3
• InChIKey: LGFLAOFXRNLRLX-UHFFFAOYSA-N
• XLogP: 5.97
• TPSA: 91.75 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	535.69
LogP ≤ 5	5.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]ethyl acetate?

The IUPAC name of 2-[2,6-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]ethyl acetate (CID 46234537) is 2-[2,6-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]ethyl acetate.

What is the SMILES notation for 2-[2,6-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]ethyl acetate?

The canonical SMILES for 2-[2,6-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]ethyl acetate is CC(=O)OCCOc1c(Cl)cc(-c2noc(-c3cn4cc(C(F)(F)F)cc(Cl)c4n3)n2)cc1Cl.

What is the InChIKey of 2-[2,6-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]ethyl acetate?

The InChIKey is LGFLAOFXRNLRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl3F3N4O4/c1-9(31)32-2-3-33-16-12(21)4-10(5-13(16)22)17-28-19(34-29-17)15-8-30-7-11(20(24,25)26)6-14(23)18(30)27-15/h4-8H,2-3H2,1H3.

What are the key properties of 2-[2,6-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]ethyl acetate?

2-[2,6-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]ethyl acetate has a molecular weight of 535.69 g/mol, XLogP of 5.97, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2,6-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]ethyl acetate is sourced from PubChem (CID 46234537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).