1-[(3S)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone

C17H25N5O2 — CID 95774773

About 1-[(3S)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone

1-[(3S)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone (PubChem CID 95774773) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-[(3S)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone.

Molecular Properties

• Compound Name: 1-[(3S)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone
• PubChem CID: 95774773
• Molecular Formula: C17H25N5O2
• Molecular Weight: 331.42 g/mol
• Exact Mass: 331.20
• IUPAC Name: 1-[(3S)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone
• SMILES: CCc1nc([C@H]2CCCN(C(=O)Cc3ccn(C(C)C)n3)C2)no1
• InChI: InChI=1S/C17H25N5O2/c1-4-15-18-17(20-24-15)13-6-5-8-21(11-13)16(23)10-14-7-9-22(19-14)12(2)3/h7,9,12-13H,4-6,8,10-11H2,1-3H3/t13-/m0/s1
• InChIKey: XUGMYFAEZCQRAE-ZDUSSCGKSA-N
• XLogP: 2.36
• TPSA: 77.05 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	331.42
LogP ≤ 5	2.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone?

The IUPAC name of 1-[(3S)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone (CID 95774773) is 1-[(3S)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone.

What is the SMILES notation for 1-[(3S)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone?

The canonical SMILES for 1-[(3S)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone is CCc1nc([C@H]2CCCN(C(=O)Cc3ccn(C(C)C)n3)C2)no1.

What is the InChIKey of 1-[(3S)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone?

The InChIKey is XUGMYFAEZCQRAE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-4-15-18-17(20-24-15)13-6-5-8-21(11-13)16(23)10-14-7-9-22(19-14)12(2)3/h7,9,12-13H,4-6,8,10-11H2,1-3H3/t13-/m0/s1.

What are the key properties of 1-[(3S)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone?

1-[(3S)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone has a molecular weight of 331.42 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3S)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone is sourced from PubChem (CID 95774773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).