3-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]benzamide

C23H24N6O2 — CID 146132939

About 3-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]benzamide

3-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]benzamide (PubChem CID 146132939) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is 3-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]benzamide.

Molecular Properties

• Compound Name: 3-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]benzamide
• PubChem CID: 146132939
• Molecular Formula: C23H24N6O2
• Molecular Weight: 416.49 g/mol
• Exact Mass: 416.20
• IUPAC Name: 3-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]benzamide
• SMILES: CC(C)(C)Cc1nc(-c2cccc(C(=O)NCc3ccc(-n4cccn4)nc3)c2)no1
• InChI: InChI=1S/C23H24N6O2/c1-23(2,3)13-20-27-21(28-31-20)17-6-4-7-18(12-17)22(30)25-15-16-8-9-19(24-14-16)29-11-5-10-26-29/h4-12,14H,13,15H2,1-3H3,(H,25,30)
• InChIKey: WKRNLGZLGDRMGP-UHFFFAOYSA-N
• XLogP: 3.84
• TPSA: 98.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.49
LogP ≤ 5	3.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]benzamide?

The IUPAC name of 3-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]benzamide (CID 146132939) is 3-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]benzamide.

What is the SMILES notation for 3-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]benzamide?

The canonical SMILES for 3-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]benzamide is CC(C)(C)Cc1nc(-c2cccc(C(=O)NCc3ccc(-n4cccn4)nc3)c2)no1.

What is the InChIKey of 3-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]benzamide?

The InChIKey is WKRNLGZLGDRMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-23(2,3)13-20-27-21(28-31-20)17-6-4-7-18(12-17)22(30)25-15-16-8-9-19(24-14-16)29-11-5-10-26-29/h4-12,14H,13,15H2,1-3H3,(H,25,30).

What are the key properties of 3-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]benzamide?

3-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]benzamide has a molecular weight of 416.49 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 146132939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).