2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-iodophenyl)acetamide

C16H11FIN3O2S — CID 5038347

About 2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-iodophenyl)acetamide

2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-iodophenyl)acetamide (PubChem CID 5038347) has the molecular formula C16H11FIN3O2S and a molecular weight of 455.25 g/mol. Its IUPAC name is 2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-iodophenyl)acetamide.

Molecular Properties

• Compound Name: 2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-iodophenyl)acetamide
• PubChem CID: 5038347
• Molecular Formula: C16H11FIN3O2S
• Molecular Weight: 455.25 g/mol
• Exact Mass: 454.96
• IUPAC Name: 2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-iodophenyl)acetamide
• SMILES: O=C(CSc1nnc(-c2ccc(F)cc2)o1)Nc1ccc(I)cc1
• InChI: InChI=1S/C16H11FIN3O2S/c17-11-3-1-10(2-4-11)15-20-21-16(23-15)24-9-14(22)19-13-7-5-12(18)6-8-13/h1-8H,9H2,(H,19,22)
• InChIKey: NPFFSIOAZWLVFX-UHFFFAOYSA-N
• XLogP: 4.21
• TPSA: 68.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.25
LogP ≤ 5	4.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-iodophenyl)acetamide (CID 5038347) is 2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-iodophenyl)acetamide.

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

The canonical SMILES for 2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-iodophenyl)acetamide is O=C(CSc1nnc(-c2ccc(F)cc2)o1)Nc1ccc(I)cc1.

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

The InChIKey is NPFFSIOAZWLVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FIN3O2S/c17-11-3-1-10(2-4-11)15-20-21-16(23-15)24-9-14(22)19-13-7-5-12(18)6-8-13/h1-8H,9H2,(H,19,22).

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

2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-iodophenyl)acetamide has a molecular weight of 455.25 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-iodophenyl)acetamide is sourced from PubChem (CID 5038347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).