2-(4-fluorophenoxy)-1-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)triazol-1-yl]piperidin-1-yl]ethanone

C18H19FN6O3 — CID 91892109

About 2-(4-fluorophenoxy)-1-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)triazol-1-yl]piperidin-1-yl]ethanone

2-(4-fluorophenoxy)-1-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)triazol-1-yl]piperidin-1-yl]ethanone (PubChem CID 91892109) has the molecular formula C18H19FN6O3 and a molecular weight of 386.39 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-1-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)triazol-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-(4-fluorophenoxy)-1-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)triazol-1-yl]piperidin-1-yl]ethanone
• PubChem CID: 91892109
• Molecular Formula: C18H19FN6O3
• Molecular Weight: 386.39 g/mol
• Exact Mass: 386.15
• IUPAC Name: 2-(4-fluorophenoxy)-1-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)triazol-1-yl]piperidin-1-yl]ethanone
• SMILES: Cc1nc(-c2cn(C3CCCN(C(=O)COc4ccc(F)cc4)C3)nn2)no1
• InChI: InChI=1S/C18H19FN6O3/c1-12-20-18(22-28-12)16-10-25(23-21-16)14-3-2-8-24(9-14)17(26)11-27-15-6-4-13(19)5-7-15/h4-7,10,14H,2-3,8-9,11H2,1H3
• InChIKey: PHZHNCQXRQLIEW-UHFFFAOYSA-N
• XLogP: 2.02
• TPSA: 99.17 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.39
LogP ≤ 5	2.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-1-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)triazol-1-yl]piperidin-1-yl]ethanone?

The IUPAC name of 2-(4-fluorophenoxy)-1-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)triazol-1-yl]piperidin-1-yl]ethanone (CID 91892109) is 2-(4-fluorophenoxy)-1-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)triazol-1-yl]piperidin-1-yl]ethanone.

What is the SMILES notation for 2-(4-fluorophenoxy)-1-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)triazol-1-yl]piperidin-1-yl]ethanone?

The canonical SMILES for 2-(4-fluorophenoxy)-1-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)triazol-1-yl]piperidin-1-yl]ethanone is Cc1nc(-c2cn(C3CCCN(C(=O)COc4ccc(F)cc4)C3)nn2)no1.

What is the InChIKey of 2-(4-fluorophenoxy)-1-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)triazol-1-yl]piperidin-1-yl]ethanone?

The InChIKey is PHZHNCQXRQLIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN6O3/c1-12-20-18(22-28-12)16-10-25(23-21-16)14-3-2-8-24(9-14)17(26)11-27-15-6-4-13(19)5-7-15/h4-7,10,14H,2-3,8-9,11H2,1H3.

What are the key properties of 2-(4-fluorophenoxy)-1-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)triazol-1-yl]piperidin-1-yl]ethanone?

2-(4-fluorophenoxy)-1-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)triazol-1-yl]piperidin-1-yl]ethanone has a molecular weight of 386.39 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-fluorophenoxy)-1-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)triazol-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 91892109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).