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

C16H10Cl3N3O2S — CID 5125197

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

2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide (PubChem CID 5125197) has the molecular formula C16H10Cl3N3O2S and a molecular weight of 414.70 g/mol. Its IUPAC name is 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide.

Molecular Properties

• Compound Name: 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide
• PubChem CID: 5125197
• Molecular Formula: C16H10Cl3N3O2S
• Molecular Weight: 414.70 g/mol
• Exact Mass: 412.96
• IUPAC Name: 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide
• SMILES: O=C(CSc1nnc(-c2ccccc2)o1)Nc1cc(Cl)c(Cl)cc1Cl
• InChI: InChI=1S/C16H10Cl3N3O2S/c17-10-6-12(19)13(7-11(10)18)20-14(23)8-25-16-22-21-15(24-16)9-4-2-1-3-5-9/h1-7H,8H2,(H,20,23)
• InChIKey: AAUKHJQMXYTTEY-UHFFFAOYSA-N
• XLogP: 5.43
• TPSA: 68.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	414.70
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide (CID 5125197) is 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide.

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

The canonical SMILES for 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide is O=C(CSc1nnc(-c2ccccc2)o1)Nc1cc(Cl)c(Cl)cc1Cl.

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

The InChIKey is AAUKHJQMXYTTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl3N3O2S/c17-10-6-12(19)13(7-11(10)18)20-14(23)8-25-16-22-21-15(24-16)9-4-2-1-3-5-9/h1-7H,8H2,(H,20,23).

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

2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide has a molecular weight of 414.70 g/mol, XLogP of 5.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide is sourced from PubChem (CID 5125197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).