2-[2-methyl-4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]-N-(1-phenylethyl)acetamide

C21H20N6O2 — CID 53178084

About 2-[2-methyl-4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]-N-(1-phenylethyl)acetamide

2-[2-methyl-4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]-N-(1-phenylethyl)acetamide (PubChem CID 53178084) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is 2-[2-methyl-4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]-N-(1-phenylethyl)acetamide.

Molecular Properties

• Compound Name: 2-[2-methyl-4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]-N-(1-phenylethyl)acetamide
• PubChem CID: 53178084
• Molecular Formula: C21H20N6O2
• Molecular Weight: 388.43 g/mol
• Exact Mass: 388.16
• IUPAC Name: 2-[2-methyl-4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]-N-(1-phenylethyl)acetamide
• SMILES: Cc1nc(-c2noc(-c3cccnc3)n2)cn1CC(=O)NC(C)c1ccccc1
• InChI: InChI=1S/C21H20N6O2/c1-14(16-7-4-3-5-8-16)23-19(28)13-27-12-18(24-15(27)2)20-25-21(29-26-20)17-9-6-10-22-11-17/h3-12,14H,13H2,1-2H3,(H,23,28)
• InChIKey: KAVCCRLBGSZNSJ-UHFFFAOYSA-N
• XLogP: 3.18
• TPSA: 98.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.43
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]-N-(1-phenylethyl)acetamide?

The IUPAC name of 2-[2-methyl-4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]-N-(1-phenylethyl)acetamide (CID 53178084) is 2-[2-methyl-4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]-N-(1-phenylethyl)acetamide.

What is the SMILES notation for 2-[2-methyl-4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]-N-(1-phenylethyl)acetamide?

The canonical SMILES for 2-[2-methyl-4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]-N-(1-phenylethyl)acetamide is Cc1nc(-c2noc(-c3cccnc3)n2)cn1CC(=O)NC(C)c1ccccc1.

What is the InChIKey of 2-[2-methyl-4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]-N-(1-phenylethyl)acetamide?

The InChIKey is KAVCCRLBGSZNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c1-14(16-7-4-3-5-8-16)23-19(28)13-27-12-18(24-15(27)2)20-25-21(29-26-20)17-9-6-10-22-11-17/h3-12,14H,13H2,1-2H3,(H,23,28).

What are the key properties of 2-[2-methyl-4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]-N-(1-phenylethyl)acetamide?

2-[2-methyl-4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]-N-(1-phenylethyl)acetamide has a molecular weight of 388.43 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-methyl-4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 53178084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).