[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone

C22H21N5O2S — CID 75835258

About [3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone

[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone (PubChem CID 75835258) has the molecular formula C22H21N5O2S and a molecular weight of 419.51 g/mol. Its IUPAC name is [3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone.

Molecular Properties

• Compound Name: [3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone
• PubChem CID: 75835258
• Molecular Formula: C22H21N5O2S
• Molecular Weight: 419.51 g/mol
• Exact Mass: 419.14
• IUPAC Name: [3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone
• SMILES: Cc1noc(C2CCCN(C(=O)c3cn(-c4ccccc4)nc3-c3cccs3)C2)n1
• InChI: InChI=1S/C22H21N5O2S/c1-15-23-21(29-25-15)16-7-5-11-26(13-16)22(28)18-14-27(17-8-3-2-4-9-17)24-20(18)19-10-6-12-30-19/h2-4,6,8-10,12,14,16H,5,7,11,13H2,1H3
• InChIKey: RXJWSINDYOHYFW-UHFFFAOYSA-N
• XLogP: 4.31
• TPSA: 77.05 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.51
LogP ≤ 5	4.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone?

The IUPAC name of [3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone (CID 75835258) is [3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone.

What is the SMILES notation for [3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone?

The canonical SMILES for [3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone is Cc1noc(C2CCCN(C(=O)c3cn(-c4ccccc4)nc3-c3cccs3)C2)n1.

What is the InChIKey of [3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone?

The InChIKey is RXJWSINDYOHYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2S/c1-15-23-21(29-25-15)16-7-5-11-26(13-16)22(28)18-14-27(17-8-3-2-4-9-17)24-20(18)19-10-6-12-30-19/h2-4,6,8-10,12,14,16H,5,7,11,13H2,1H3.

What are the key properties of [3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone?

[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone has a molecular weight of 419.51 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone is sourced from PubChem (CID 75835258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).