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

C21H20N6O2 — CID 53178074

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

N-(3,5-dimethylphenyl)-2-[2-methyl-4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide (PubChem CID 53178074) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-[2-methyl-4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(3,5-dimethylphenyl)-2-[2-methyl-4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
• PubChem CID: 53178074
• Molecular Formula: C21H20N6O2
• Molecular Weight: 388.43 g/mol
• Exact Mass: 388.16
• IUPAC Name: N-(3,5-dimethylphenyl)-2-[2-methyl-4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
• SMILES: Cc1cc(C)cc(NC(=O)Cn2cc(-c3noc(-c4cccnc4)n3)nc2C)c1
• InChI: InChI=1S/C21H20N6O2/c1-13-7-14(2)9-17(8-13)24-19(28)12-27-11-18(23-15(27)3)20-25-21(29-26-20)16-5-4-6-22-10-16/h4-11H,12H2,1-3H3,(H,24,28)
• InChIKey: SAZIVSUQBCMLRJ-UHFFFAOYSA-N
• XLogP: 3.56
• TPSA: 98.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.43
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-(3,5-dimethylphenyl)-2-[2-methyl-4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide (CID 53178074) is N-(3,5-dimethylphenyl)-2-[2-methyl-4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide.

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

The canonical SMILES for N-(3,5-dimethylphenyl)-2-[2-methyl-4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide is Cc1cc(C)cc(NC(=O)Cn2cc(-c3noc(-c4cccnc4)n3)nc2C)c1.

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

The InChIKey is SAZIVSUQBCMLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c1-13-7-14(2)9-17(8-13)24-19(28)12-27-11-18(23-15(27)3)20-25-21(29-26-20)16-5-4-6-22-10-16/h4-11H,12H2,1-3H3,(H,24,28).

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

N-(3,5-dimethylphenyl)-2-[2-methyl-4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide has a molecular weight of 388.43 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,5-dimethylphenyl)-2-[2-methyl-4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide is sourced from PubChem (CID 53178074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).