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

C22H16FN5O2S — CID 18227737

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

2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-phenyldiazenylphenyl)acetamide (PubChem CID 18227737) has the molecular formula C22H16FN5O2S and a molecular weight of 433.47 g/mol. Its IUPAC name is 2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-phenyldiazenylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-phenyldiazenylphenyl)acetamide
• PubChem CID: 18227737
• Molecular Formula: C22H16FN5O2S
• Molecular Weight: 433.47 g/mol
• Exact Mass: 433.10
• IUPAC Name: 2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-phenyldiazenylphenyl)acetamide
• SMILES: O=C(CSc1nnc(-c2ccc(F)cc2)o1)Nc1ccc(/N=N/c2ccccc2)cc1
• InChI: InChI=1S/C22H16FN5O2S/c23-16-8-6-15(7-9-16)21-27-28-22(30-21)31-14-20(29)24-17-10-12-19(13-11-17)26-25-18-4-2-1-3-5-18/h1-13H,14H2,(H,24,29)/b26-25+
• InChIKey: CQAXQXWMHXCXDW-OCEACIFDSA-N
• XLogP: 6.02
• TPSA: 92.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	433.47
LogP ≤ 5	6.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', '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-phenyldiazenylphenyl)acetamide?

The IUPAC name of 2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-phenyldiazenylphenyl)acetamide (CID 18227737) is 2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-phenyldiazenylphenyl)acetamide.

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

The canonical SMILES for 2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-phenyldiazenylphenyl)acetamide is O=C(CSc1nnc(-c2ccc(F)cc2)o1)Nc1ccc(/N=N/c2ccccc2)cc1.

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

The InChIKey is CQAXQXWMHXCXDW-OCEACIFDSA-N. The full InChI is InChI=1S/C22H16FN5O2S/c23-16-8-6-15(7-9-16)21-27-28-22(30-21)31-14-20(29)24-17-10-12-19(13-11-17)26-25-18-4-2-1-3-5-18/h1-13H,14H2,(H,24,29)/b26-25+.

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

2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-phenyldiazenylphenyl)acetamide has a molecular weight of 433.47 g/mol, XLogP of 6.02, 7 rotatable bonds, 1 hydrogen bond donors, and 7 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-phenyldiazenylphenyl)acetamide is sourced from PubChem (CID 18227737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).