1-[3-[1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethoxy]phenyl]ethanone

C17H22N4O3 — CID 120957096

About 1-[3-[1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethoxy]phenyl]ethanone

1-[3-[1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethoxy]phenyl]ethanone (PubChem CID 120957096) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 1-[3-[1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethoxy]phenyl]ethanone.

Molecular Properties

• Compound Name: 1-[3-[1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethoxy]phenyl]ethanone
• PubChem CID: 120957096
• Molecular Formula: C17H22N4O3
• Molecular Weight: 330.39 g/mol
• Exact Mass: 330.17
• IUPAC Name: 1-[3-[1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethoxy]phenyl]ethanone
• SMILES: CC(=O)c1cccc(OC(C)c2nc(C3CNCCN3C)no2)c1
• InChI: InChI=1S/C17H22N4O3/c1-11(22)13-5-4-6-14(9-13)23-12(2)17-19-16(20-24-17)15-10-18-7-8-21(15)3/h4-6,9,12,15,18H,7-8,10H2,1-3H3
• InChIKey: UTAGVUBXOQAOSM-UHFFFAOYSA-N
• XLogP: 1.99
• TPSA: 80.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	330.39
LogP ≤ 5	1.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethoxy]phenyl]ethanone?

The IUPAC name of 1-[3-[1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethoxy]phenyl]ethanone (CID 120957096) is 1-[3-[1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethoxy]phenyl]ethanone.

What is the SMILES notation for 1-[3-[1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethoxy]phenyl]ethanone?

The canonical SMILES for 1-[3-[1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethoxy]phenyl]ethanone is CC(=O)c1cccc(OC(C)c2nc(C3CNCCN3C)no2)c1.

What is the InChIKey of 1-[3-[1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethoxy]phenyl]ethanone?

The InChIKey is UTAGVUBXOQAOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-11(22)13-5-4-6-14(9-13)23-12(2)17-19-16(20-24-17)15-10-18-7-8-21(15)3/h4-6,9,12,15,18H,7-8,10H2,1-3H3.

What are the key properties of 1-[3-[1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethoxy]phenyl]ethanone?

1-[3-[1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethoxy]phenyl]ethanone has a molecular weight of 330.39 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethoxy]phenyl]ethanone is sourced from PubChem (CID 120957096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).