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

C20H18N6O2 — CID 53177935

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

N-(2,3-dimethylphenyl)-2-[4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide (PubChem CID 53177935) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(2,3-dimethylphenyl)-2-[4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
• PubChem CID: 53177935
• Molecular Formula: C20H18N6O2
• Molecular Weight: 374.40 g/mol
• Exact Mass: 374.15
• IUPAC Name: N-(2,3-dimethylphenyl)-2-[4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
• SMILES: Cc1cccc(NC(=O)Cn2cnc(-c3noc(-c4cccnc4)n3)c2)c1C
• InChI: InChI=1S/C20H18N6O2/c1-13-5-3-7-16(14(13)2)23-18(27)11-26-10-17(22-12-26)19-24-20(28-25-19)15-6-4-8-21-9-15/h3-10,12H,11H2,1-2H3,(H,23,27)
• InChIKey: BSUJBBIPILLWAN-UHFFFAOYSA-N
• XLogP: 3.25
• TPSA: 98.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.40
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-(2,3-dimethylphenyl)-2-[4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide (CID 53177935) is N-(2,3-dimethylphenyl)-2-[4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide.

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

The canonical SMILES for N-(2,3-dimethylphenyl)-2-[4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide is Cc1cccc(NC(=O)Cn2cnc(-c3noc(-c4cccnc4)n3)c2)c1C.

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

The InChIKey is BSUJBBIPILLWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2/c1-13-5-3-7-16(14(13)2)23-18(27)11-26-10-17(22-12-26)19-24-20(28-25-19)15-6-4-8-21-9-15/h3-10,12H,11H2,1-2H3,(H,23,27).

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

N-(2,3-dimethylphenyl)-2-[4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide has a molecular weight of 374.40 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dimethylphenyl)-2-[4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide is sourced from PubChem (CID 53177935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).