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

C21H19N5O3S — CID 55674181

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

2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide (PubChem CID 55674181) has the molecular formula C21H19N5O3S and a molecular weight of 421.48 g/mol. Its IUPAC name is 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide.

Molecular Properties

• Compound Name: 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide
• PubChem CID: 55674181
• Molecular Formula: C21H19N5O3S
• Molecular Weight: 421.48 g/mol
• Exact Mass: 421.12
• IUPAC Name: 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide
• SMILES: COc1ccc(-c2nnc(SCC(=O)Nc3ccccc3Cn3cccn3)o2)cc1
• InChI: InChI=1S/C21H19N5O3S/c1-28-17-9-7-15(8-10-17)20-24-25-21(29-20)30-14-19(27)23-18-6-3-2-5-16(18)13-26-12-4-11-22-26/h2-12H,13-14H2,1H3,(H,23,27)
• InChIKey: NWQWGERJCBGNOY-UHFFFAOYSA-N
• XLogP: 3.72
• TPSA: 95.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.48
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide (CID 55674181) is 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide.

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

The canonical SMILES for 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide is COc1ccc(-c2nnc(SCC(=O)Nc3ccccc3Cn3cccn3)o2)cc1.

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

The InChIKey is NWQWGERJCBGNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3S/c1-28-17-9-7-15(8-10-17)20-24-25-21(29-20)30-14-19(27)23-18-6-3-2-5-16(18)13-26-12-4-11-22-26/h2-12H,13-14H2,1H3,(H,23,27).

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

2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide has a molecular weight of 421.48 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 55674181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).