5-[1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole

C20H20FN7O — CID 133284910

About 5-[1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole

5-[1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole (PubChem CID 133284910) has the molecular formula C20H20FN7O and a molecular weight of 393.43 g/mol. Its IUPAC name is 5-[1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 5-[1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
• PubChem CID: 133284910
• Molecular Formula: C20H20FN7O
• Molecular Weight: 393.43 g/mol
• Exact Mass: 393.17
• IUPAC Name: 5-[1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
• SMILES: CCc1cc(N2CCCC(c3nc(-c4ccc(F)cc4)no3)C2)n2ncnc2n1
• InChI: InChI=1S/C20H20FN7O/c1-2-16-10-17(28-20(24-16)22-12-23-28)27-9-3-4-14(11-27)19-25-18(26-29-19)13-5-7-15(21)8-6-13/h5-8,10,12,14H,2-4,9,11H2,1H3
• InChIKey: DQCUTLZHZCTOIX-UHFFFAOYSA-N
• XLogP: 3.26
• TPSA: 85.24 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.43
LogP ≤ 5	3.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole?

The IUPAC name of 5-[1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole (CID 133284910) is 5-[1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole.

What is the SMILES notation for 5-[1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole?

The canonical SMILES for 5-[1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole is CCc1cc(N2CCCC(c3nc(-c4ccc(F)cc4)no3)C2)n2ncnc2n1.

What is the InChIKey of 5-[1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole?

The InChIKey is DQCUTLZHZCTOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN7O/c1-2-16-10-17(28-20(24-16)22-12-23-28)27-9-3-4-14(11-27)19-25-18(26-29-19)13-5-7-15(21)8-6-13/h5-8,10,12,14H,2-4,9,11H2,1H3.

What are the key properties of 5-[1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole?

5-[1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole has a molecular weight of 393.43 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 133284910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).