2-[4-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]piperazin-1-yl]-N-propylacetamide

C21H28FN5O3 — CID 55923576

About 2-[4-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]piperazin-1-yl]-N-propylacetamide

2-[4-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]piperazin-1-yl]-N-propylacetamide (PubChem CID 55923576) has the molecular formula C21H28FN5O3 and a molecular weight of 417.49 g/mol. Its IUPAC name is 2-[4-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]piperazin-1-yl]-N-propylacetamide.

Molecular Properties

• Compound Name: 2-[4-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]piperazin-1-yl]-N-propylacetamide
• PubChem CID: 55923576
• Molecular Formula: C21H28FN5O3
• Molecular Weight: 417.49 g/mol
• Exact Mass: 417.22
• IUPAC Name: 2-[4-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]piperazin-1-yl]-N-propylacetamide
• SMILES: CCCNC(=O)CN1CCN(C(=O)CCc2nc(-c3ccc(C)c(F)c3)no2)CC1
• InChI: InChI=1S/C21H28FN5O3/c1-3-8-23-18(28)14-26-9-11-27(12-10-26)20(29)7-6-19-24-21(25-30-19)16-5-4-15(2)17(22)13-16/h4-5,13H,3,6-12,14H2,1-2H3,(H,23,28)
• InChIKey: CAHLBONCTJIQFM-UHFFFAOYSA-N
• XLogP: 1.79
• TPSA: 91.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.49
LogP ≤ 5	1.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]piperazin-1-yl]-N-propylacetamide?

The IUPAC name of 2-[4-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]piperazin-1-yl]-N-propylacetamide (CID 55923576) is 2-[4-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]piperazin-1-yl]-N-propylacetamide.

What is the SMILES notation for 2-[4-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]piperazin-1-yl]-N-propylacetamide?

The canonical SMILES for 2-[4-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]piperazin-1-yl]-N-propylacetamide is CCCNC(=O)CN1CCN(C(=O)CCc2nc(-c3ccc(C)c(F)c3)no2)CC1.

What is the InChIKey of 2-[4-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]piperazin-1-yl]-N-propylacetamide?

The InChIKey is CAHLBONCTJIQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FN5O3/c1-3-8-23-18(28)14-26-9-11-27(12-10-26)20(29)7-6-19-24-21(25-30-19)16-5-4-15(2)17(22)13-16/h4-5,13H,3,6-12,14H2,1-2H3,(H,23,28).

What are the key properties of 2-[4-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]piperazin-1-yl]-N-propylacetamide?

2-[4-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]piperazin-1-yl]-N-propylacetamide has a molecular weight of 417.49 g/mol, XLogP of 1.79, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]piperazin-1-yl]-N-propylacetamide is sourced from PubChem (CID 55923576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).