N-(4-fluorophenyl)-2-[4-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoyl]piperazin-1-yl]acetamide

C21H22FN5O3S — CID 38019028

About N-(4-fluorophenyl)-2-[4-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoyl]piperazin-1-yl]acetamide

N-(4-fluorophenyl)-2-[4-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoyl]piperazin-1-yl]acetamide (PubChem CID 38019028) has the molecular formula C21H22FN5O3S and a molecular weight of 443.50 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[4-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoyl]piperazin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(4-fluorophenyl)-2-[4-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoyl]piperazin-1-yl]acetamide
• PubChem CID: 38019028
• Molecular Formula: C21H22FN5O3S
• Molecular Weight: 443.50 g/mol
• Exact Mass: 443.14
• IUPAC Name: N-(4-fluorophenyl)-2-[4-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoyl]piperazin-1-yl]acetamide
• SMILES: O=C(CN1CCN(C(=O)CCc2nnc(-c3ccsc3)o2)CC1)Nc1ccc(F)cc1
• InChI: InChI=1S/C21H22FN5O3S/c22-16-1-3-17(4-2-16)23-18(28)13-26-8-10-27(11-9-26)20(29)6-5-19-24-25-21(30-19)15-7-12-31-14-15/h1-4,7,12,14H,5-6,8-11,13H2,(H,23,28)
• InChIKey: HTDVRNGBGWBSLE-UHFFFAOYSA-N
• XLogP: 2.65
• TPSA: 91.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.50
LogP ≤ 5	2.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[4-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoyl]piperazin-1-yl]acetamide?

The IUPAC name of N-(4-fluorophenyl)-2-[4-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoyl]piperazin-1-yl]acetamide (CID 38019028) is N-(4-fluorophenyl)-2-[4-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoyl]piperazin-1-yl]acetamide.

What is the SMILES notation for N-(4-fluorophenyl)-2-[4-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoyl]piperazin-1-yl]acetamide?

The canonical SMILES for N-(4-fluorophenyl)-2-[4-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoyl]piperazin-1-yl]acetamide is O=C(CN1CCN(C(=O)CCc2nnc(-c3ccsc3)o2)CC1)Nc1ccc(F)cc1.

What is the InChIKey of N-(4-fluorophenyl)-2-[4-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoyl]piperazin-1-yl]acetamide?

The InChIKey is HTDVRNGBGWBSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O3S/c22-16-1-3-17(4-2-16)23-18(28)13-26-8-10-27(11-9-26)20(29)6-5-19-24-25-21(30-19)15-7-12-31-14-15/h1-4,7,12,14H,5-6,8-11,13H2,(H,23,28).

What are the key properties of N-(4-fluorophenyl)-2-[4-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoyl]piperazin-1-yl]acetamide?

N-(4-fluorophenyl)-2-[4-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoyl]piperazin-1-yl]acetamide has a molecular weight of 443.50 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-fluorophenyl)-2-[4-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 38019028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).