3-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazine-1-carbonyl]-1H-pyridin-2-one

C18H15F3N6O3 — CID 71780513

About 3-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazine-1-carbonyl]-1H-pyridin-2-one

3-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 71780513) has the molecular formula C18H15F3N6O3 and a molecular weight of 420.35 g/mol. Its IUPAC name is 3-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 3-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazine-1-carbonyl]-1H-pyridin-2-one
• PubChem CID: 71780513
• Molecular Formula: C18H15F3N6O3
• Molecular Weight: 420.35 g/mol
• Exact Mass: 420.12
• IUPAC Name: 3-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazine-1-carbonyl]-1H-pyridin-2-one
• SMILES: O=C(c1ccc[nH]c1=O)N1CCN(c2ccc(-c3noc(C(F)(F)F)n3)cn2)CC1
• InChI: InChI=1S/C18H15F3N6O3/c19-18(20,21)17-24-14(25-30-17)11-3-4-13(23-10-11)26-6-8-27(9-7-26)16(29)12-2-1-5-22-15(12)28/h1-5,10H,6-9H2,(H,22,28)
• InChIKey: SMBHNVSWBQHZFX-UHFFFAOYSA-N
• XLogP: 1.80
• TPSA: 108.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.35
LogP ≤ 5	1.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazine-1-carbonyl]-1H-pyridin-2-one?

The IUPAC name of 3-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazine-1-carbonyl]-1H-pyridin-2-one (CID 71780513) is 3-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazine-1-carbonyl]-1H-pyridin-2-one.

What is the SMILES notation for 3-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazine-1-carbonyl]-1H-pyridin-2-one?

The canonical SMILES for 3-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazine-1-carbonyl]-1H-pyridin-2-one is O=C(c1ccc[nH]c1=O)N1CCN(c2ccc(-c3noc(C(F)(F)F)n3)cn2)CC1.

What is the InChIKey of 3-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazine-1-carbonyl]-1H-pyridin-2-one?

The InChIKey is SMBHNVSWBQHZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N6O3/c19-18(20,21)17-24-14(25-30-17)11-3-4-13(23-10-11)26-6-8-27(9-7-26)16(29)12-2-1-5-22-15(12)28/h1-5,10H,6-9H2,(H,22,28).

What are the key properties of 3-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazine-1-carbonyl]-1H-pyridin-2-one?

3-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 420.35 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 71780513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).