3-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(trifluoromethyl)-1,2-oxazole

C₁₀H₁₁F₃N₂O — CID 90736523

About 3-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(trifluoromethyl)-1,2-oxazole

3-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(trifluoromethyl)-1,2-oxazole (PubChem CID 90736523) has the molecular formula C₁₀H₁₁F₃N₂O and a molecular weight of 232.20 g/mol. Its IUPAC name is 3-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(trifluoromethyl)-1,2-oxazole.

Molecular Properties

• Compound Name: 3-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(trifluoromethyl)-1,2-oxazole
• PubChem CID: 90736523
• Molecular Formula: C₁₀H₁₁F₃N₂O
• Molecular Weight: 232.20 g/mol
• Exact Mass: 232.08
• IUPAC Name: 3-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(trifluoromethyl)-1,2-oxazole
• SMILES: FC(F)(F)c1cc(C2CC3CCC2N3)no1
• InChI: InChI=1S/C10H11F3N2O/c11-10(12,13)9-4-8(15-16-9)6-3-5-1-2-7(6)14-5/h4-7,14H,1-3H2
• InChIKey: FVOCXMZAWKSVRD-UHFFFAOYSA-N
• XLogP: 2.30
• TPSA: 38.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	232.20
LogP ≤ 5	2.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(trifluoromethyl)-1,2-oxazole?

The IUPAC name of 3-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(trifluoromethyl)-1,2-oxazole (CID 90736523) is 3-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(trifluoromethyl)-1,2-oxazole.

What is the SMILES notation for 3-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(trifluoromethyl)-1,2-oxazole?

The canonical SMILES for 3-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(trifluoromethyl)-1,2-oxazole is FC(F)(F)c1cc(C2CC3CCC2N3)no1.

What is the InChIKey of 3-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(trifluoromethyl)-1,2-oxazole?

The InChIKey is FVOCXMZAWKSVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O/c11-10(12,13)9-4-8(15-16-9)6-3-5-1-2-7(6)14-5/h4-7,14H,1-3H2.

What are the key properties of 3-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(trifluoromethyl)-1,2-oxazole?

3-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(trifluoromethyl)-1,2-oxazole has a molecular weight of 232.20 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(trifluoromethyl)-1,2-oxazole is sourced from PubChem (CID 90736523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 90736523 — identifiers, structure, computed properties (public domain)

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