2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-(2-methyl-6-propan-2-ylphenyl)acetamide

C21H23N3O3 — CID 55733747

About 2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-(2-methyl-6-propan-2-ylphenyl)acetamide

2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-(2-methyl-6-propan-2-ylphenyl)acetamide (PubChem CID 55733747) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-(2-methyl-6-propan-2-ylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
• PubChem CID: 55733747
• Molecular Formula: C21H23N3O3
• Molecular Weight: 365.43 g/mol
• Exact Mass: 365.17
• IUPAC Name: 2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
• SMILES: Cc1nc(-c2cccc(OCC(=O)Nc3c(C)cccc3C(C)C)c2)no1
• InChI: InChI=1S/C21H23N3O3/c1-13(2)18-10-5-7-14(3)20(18)23-19(25)12-26-17-9-6-8-16(11-17)21-22-15(4)27-24-21/h5-11,13H,12H2,1-4H3,(H,23,25)
• InChIKey: BLOSQPBVHUHMKE-UHFFFAOYSA-N
• XLogP: 4.49
• TPSA: 77.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.43
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-(2-methyl-6-propan-2-ylphenyl)acetamide?

The IUPAC name of 2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-(2-methyl-6-propan-2-ylphenyl)acetamide (CID 55733747) is 2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-(2-methyl-6-propan-2-ylphenyl)acetamide.

What is the SMILES notation for 2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-(2-methyl-6-propan-2-ylphenyl)acetamide?

The canonical SMILES for 2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-(2-methyl-6-propan-2-ylphenyl)acetamide is Cc1nc(-c2cccc(OCC(=O)Nc3c(C)cccc3C(C)C)c2)no1.

What is the InChIKey of 2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-(2-methyl-6-propan-2-ylphenyl)acetamide?

The InChIKey is BLOSQPBVHUHMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-13(2)18-10-5-7-14(3)20(18)23-19(25)12-26-17-9-6-8-16(11-17)21-22-15(4)27-24-21/h5-11,13H,12H2,1-4H3,(H,23,25).

What are the key properties of 2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-(2-methyl-6-propan-2-ylphenyl)acetamide?

2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-(2-methyl-6-propan-2-ylphenyl)acetamide has a molecular weight of 365.43 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-(2-methyl-6-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 55733747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).