3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]-N-(2-thiophen-2-ylethyl)benzamide

C22H23N5O2S — CID 46086639

About 3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]-N-(2-thiophen-2-ylethyl)benzamide

3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]-N-(2-thiophen-2-ylethyl)benzamide (PubChem CID 46086639) has the molecular formula C22H23N5O2S and a molecular weight of 421.53 g/mol. Its IUPAC name is 3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]-N-(2-thiophen-2-ylethyl)benzamide.

Molecular Properties

• Compound Name: 3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]-N-(2-thiophen-2-ylethyl)benzamide
• PubChem CID: 46086639
• Molecular Formula: C22H23N5O2S
• Molecular Weight: 421.53 g/mol
• Exact Mass: 421.16
• IUPAC Name: 3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]-N-(2-thiophen-2-ylethyl)benzamide
• SMILES: Cc1nnc(-c2cc(C(C)C)n(-c3cccc(C(=O)NCCc4cccs4)c3)n2)o1
• InChI: InChI=1S/C22H23N5O2S/c1-14(2)20-13-19(22-25-24-15(3)29-22)26-27(20)17-7-4-6-16(12-17)21(28)23-10-9-18-8-5-11-30-18/h4-8,11-14H,9-10H2,1-3H3,(H,23,28)
• InChIKey: ZKUTVYTWKOVLSQ-UHFFFAOYSA-N
• XLogP: 4.39
• TPSA: 85.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.53
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]-N-(2-thiophen-2-ylethyl)benzamide?

The IUPAC name of 3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]-N-(2-thiophen-2-ylethyl)benzamide (CID 46086639) is 3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]-N-(2-thiophen-2-ylethyl)benzamide.

What is the SMILES notation for 3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]-N-(2-thiophen-2-ylethyl)benzamide?

The canonical SMILES for 3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]-N-(2-thiophen-2-ylethyl)benzamide is Cc1nnc(-c2cc(C(C)C)n(-c3cccc(C(=O)NCCc4cccs4)c3)n2)o1.

What is the InChIKey of 3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]-N-(2-thiophen-2-ylethyl)benzamide?

The InChIKey is ZKUTVYTWKOVLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2S/c1-14(2)20-13-19(22-25-24-15(3)29-22)26-27(20)17-7-4-6-16(12-17)21(28)23-10-9-18-8-5-11-30-18/h4-8,11-14H,9-10H2,1-3H3,(H,23,28).

What are the key properties of 3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]-N-(2-thiophen-2-ylethyl)benzamide?

3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]-N-(2-thiophen-2-ylethyl)benzamide has a molecular weight of 421.53 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]-N-(2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 46086639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).