furan-3-yl-[4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone

C17H20N6O3 — CID 91891862

About furan-3-yl-[4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone

furan-3-yl-[4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone (PubChem CID 91891862) has the molecular formula C17H20N6O3 and a molecular weight of 356.39 g/mol. Its IUPAC name is furan-3-yl-[4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: furan-3-yl-[4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone
• PubChem CID: 91891862
• Molecular Formula: C17H20N6O3
• Molecular Weight: 356.39 g/mol
• Exact Mass: 356.16
• IUPAC Name: furan-3-yl-[4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone
• SMILES: CC(C)c1noc(-c2cn(C3CCN(C(=O)c4ccoc4)CC3)nn2)n1
• InChI: InChI=1S/C17H20N6O3/c1-11(2)15-18-16(26-20-15)14-9-23(21-19-14)13-3-6-22(7-4-13)17(24)12-5-8-25-10-12/h5,8-11,13H,3-4,6-7H2,1-2H3
• InChIKey: HYAYRJIFOVJELM-UHFFFAOYSA-N
• XLogP: 2.52
• TPSA: 103.08 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.39
LogP ≤ 5	2.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of furan-3-yl-[4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone?

The IUPAC name of furan-3-yl-[4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone (CID 91891862) is furan-3-yl-[4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone.

What is the SMILES notation for furan-3-yl-[4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone?

The canonical SMILES for furan-3-yl-[4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone is CC(C)c1noc(-c2cn(C3CCN(C(=O)c4ccoc4)CC3)nn2)n1.

What is the InChIKey of furan-3-yl-[4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone?

The InChIKey is HYAYRJIFOVJELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O3/c1-11(2)15-18-16(26-20-15)14-9-23(21-19-14)13-3-6-22(7-4-13)17(24)12-5-8-25-10-12/h5,8-11,13H,3-4,6-7H2,1-2H3.

What are the key properties of furan-3-yl-[4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone?

furan-3-yl-[4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone has a molecular weight of 356.39 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for furan-3-yl-[4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 91891862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).