2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide

C20H20N6O2 — CID 71856325

About 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide

2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide (PubChem CID 71856325) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide.

Molecular Properties

• Compound Name: 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide
• PubChem CID: 71856325
• Molecular Formula: C20H20N6O2
• Molecular Weight: 376.42 g/mol
• Exact Mass: 376.16
• IUPAC Name: 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide
• SMILES: Cc1ccn2c(NC(=O)c3ccccc3-c3nc(C(C)(C)C)no3)nnc2c1
• InChI: InChI=1S/C20H20N6O2/c1-12-9-10-26-15(11-12)23-24-19(26)21-16(27)13-7-5-6-8-14(13)17-22-18(25-28-17)20(2,3)4/h5-11H,1-4H3,(H,21,24,27)
• InChIKey: PYDAXLIJLYAYEJ-UHFFFAOYSA-N
• XLogP: 3.64
• TPSA: 98.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.42
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide?

The IUPAC name of 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide (CID 71856325) is 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide.

What is the SMILES notation for 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide?

The canonical SMILES for 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide is Cc1ccn2c(NC(=O)c3ccccc3-c3nc(C(C)(C)C)no3)nnc2c1.

What is the InChIKey of 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide?

The InChIKey is PYDAXLIJLYAYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2/c1-12-9-10-26-15(11-12)23-24-19(26)21-16(27)13-7-5-6-8-14(13)17-22-18(25-28-17)20(2,3)4/h5-11H,1-4H3,(H,21,24,27).

What are the key properties of 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide?

2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide has a molecular weight of 376.42 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide is sourced from PubChem (CID 71856325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).