N-(3,5-dibromo-2-pyridinyl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C16H12Br2N4O3S — CID 3522740

About N-(3,5-dibromo-2-pyridinyl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

N-(3,5-dibromo-2-pyridinyl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 3522740) has the molecular formula C16H12Br2N4O3S and a molecular weight of 500.17 g/mol. Its IUPAC name is N-(3,5-dibromo-2-pyridinyl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-(3,5-dibromo-2-pyridinyl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
• PubChem CID: 3522740
• Molecular Formula: C16H12Br2N4O3S
• Molecular Weight: 500.17 g/mol
• Exact Mass: 497.90
• IUPAC Name: N-(3,5-dibromo-2-pyridinyl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
• SMILES: COc1ccc(-c2nnc(SCC(=O)Nc3ncc(Br)cc3Br)o2)cc1
• InChI: InChI=1S/C16H12Br2N4O3S/c1-24-11-4-2-9(3-5-11)15-21-22-16(25-15)26-8-13(23)20-14-12(18)6-10(17)7-19-14/h2-7H,8H2,1H3,(H,19,20,23)
• InChIKey: CORCAVQJOGAYCM-UHFFFAOYSA-N
• XLogP: 4.40
• TPSA: 90.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.17
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-(3,5-dibromo-2-pyridinyl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 3522740) is N-(3,5-dibromo-2-pyridinyl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

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

The canonical SMILES for N-(3,5-dibromo-2-pyridinyl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is COc1ccc(-c2nnc(SCC(=O)Nc3ncc(Br)cc3Br)o2)cc1.

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

The InChIKey is CORCAVQJOGAYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Br2N4O3S/c1-24-11-4-2-9(3-5-11)15-21-22-16(25-15)26-8-13(23)20-14-12(18)6-10(17)7-19-14/h2-7H,8H2,1H3,(H,19,20,23).

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

N-(3,5-dibromo-2-pyridinyl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 500.17 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,5-dibromo-2-pyridinyl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 3522740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).