N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide

C22H24N6O2S — CID 56531536

About N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide

N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide (PubChem CID 56531536) has the molecular formula C22H24N6O2S and a molecular weight of 436.54 g/mol. Its IUPAC name is N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide.

Molecular Properties

• Compound Name: N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
• PubChem CID: 56531536
• Molecular Formula: C22H24N6O2S
• Molecular Weight: 436.54 g/mol
• Exact Mass: 436.17
• IUPAC Name: N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
• SMILES: CC(C)(C)c1cc(NC(=O)CCCc2nc(-c3cccs3)no2)n(-c2ccccn2)n1
• InChI: InChI=1S/C22H24N6O2S/c1-22(2,3)16-14-18(28(26-16)17-9-4-5-12-23-17)24-19(29)10-6-11-20-25-21(27-30-20)15-8-7-13-31-15/h4-5,7-9,12-14H,6,10-11H2,1-3H3,(H,24,29)
• InChIKey: XWRFMWJMTXBJFY-UHFFFAOYSA-N
• XLogP: 4.64
• TPSA: 98.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.54
LogP ≤ 5	4.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide?

The IUPAC name of N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide (CID 56531536) is N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide.

What is the SMILES notation for N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide?

The canonical SMILES for N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide is CC(C)(C)c1cc(NC(=O)CCCc2nc(-c3cccs3)no2)n(-c2ccccn2)n1.

What is the InChIKey of N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide?

The InChIKey is XWRFMWJMTXBJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2S/c1-22(2,3)16-14-18(28(26-16)17-9-4-5-12-23-17)24-19(29)10-6-11-20-25-21(27-30-20)15-8-7-13-31-15/h4-5,7-9,12-14H,6,10-11H2,1-3H3,(H,24,29).

What are the key properties of N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide?

N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide has a molecular weight of 436.54 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide is sourced from PubChem (CID 56531536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).