2-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole

C₁₄H₈F₃N₃O — CID 850834

About 2-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole

2-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole (PubChem CID 850834) has the molecular formula C₁₄H₈F₃N₃O and a molecular weight of 291.23 g/mol. Its IUPAC name is 2-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole.

Molecular Properties

• Compound Name: 2-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
• PubChem CID: 850834
• Molecular Formula: C₁₄H₈F₃N₃O
• Molecular Weight: 291.23 g/mol
• Exact Mass: 291.06
• IUPAC Name: 2-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
• SMILES: FC(F)(F)c1ccc(-c2nnc(-c3ccncc3)o2)cc1
• InChI: InChI=1S/C14H8F3N3O/c15-14(16,17)11-3-1-9(2-4-11)12-19-20-13(21-12)10-5-7-18-8-6-10/h1-8H
• InChIKey: MPESBTMXUYKDJO-UHFFFAOYSA-N
• XLogP: 3.82
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	291.23
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole?

The IUPAC name of 2-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole (CID 850834) is 2-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole.

What is the SMILES notation for 2-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole?

The canonical SMILES for 2-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole is FC(F)(F)c1ccc(-c2nnc(-c3ccncc3)o2)cc1.

What is the InChIKey of 2-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole?

The InChIKey is MPESBTMXUYKDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3N3O/c15-14(16,17)11-3-1-9(2-4-11)12-19-20-13(21-12)10-5-7-18-8-6-10/h1-8H.

What are the key properties of 2-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole?

2-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole has a molecular weight of 291.23 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 850834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 850834 — identifiers, structure, computed properties (public domain)

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