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

C20H17FN4O2S — CID 53155385

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

2-[2,5-dimethyl-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(2-fluorophenyl)acetamide (PubChem CID 53155385) has the molecular formula C20H17FN4O2S and a molecular weight of 396.45 g/mol. Its IUPAC name is 2-[2,5-dimethyl-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(2-fluorophenyl)acetamide.

Molecular Properties

• Compound Name: 2-[2,5-dimethyl-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(2-fluorophenyl)acetamide
• PubChem CID: 53155385
• Molecular Formula: C20H17FN4O2S
• Molecular Weight: 396.45 g/mol
• Exact Mass: 396.11
• IUPAC Name: 2-[2,5-dimethyl-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(2-fluorophenyl)acetamide
• SMILES: Cc1cc(-c2nnc(-c3cccs3)o2)c(C)n1CC(=O)Nc1ccccc1F
• InChI: InChI=1S/C20H17FN4O2S/c1-12-10-14(19-23-24-20(27-19)17-8-5-9-28-17)13(2)25(12)11-18(26)22-16-7-4-3-6-15(16)21/h3-10H,11H2,1-2H3,(H,22,26)
• InChIKey: UFOVHNZMPLABRB-UHFFFAOYSA-N
• XLogP: 4.66
• TPSA: 72.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.45
LogP ≤ 5	4.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-[2,5-dimethyl-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(2-fluorophenyl)acetamide (CID 53155385) is 2-[2,5-dimethyl-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(2-fluorophenyl)acetamide.

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

The canonical SMILES for 2-[2,5-dimethyl-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(2-fluorophenyl)acetamide is Cc1cc(-c2nnc(-c3cccs3)o2)c(C)n1CC(=O)Nc1ccccc1F.

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

The InChIKey is UFOVHNZMPLABRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O2S/c1-12-10-14(19-23-24-20(27-19)17-8-5-9-28-17)13(2)25(12)11-18(26)22-16-7-4-3-6-15(16)21/h3-10H,11H2,1-2H3,(H,22,26).

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

2-[2,5-dimethyl-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(2-fluorophenyl)acetamide has a molecular weight of 396.45 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2,5-dimethyl-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 53155385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).