N-(2-methylphenyl)-2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide

C24H21N3O3 — CID 25237779

About N-(2-methylphenyl)-2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide

N-(2-methylphenyl)-2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide (PubChem CID 25237779) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide.

Molecular Properties

• Compound Name: N-(2-methylphenyl)-2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
• PubChem CID: 25237779
• Molecular Formula: C24H21N3O3
• Molecular Weight: 399.45 g/mol
• Exact Mass: 399.16
• IUPAC Name: N-(2-methylphenyl)-2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
• SMILES: Cc1ccc(-c2noc(-c3ccc(OCC(=O)Nc4ccccc4C)cc3)n2)cc1
• InChI: InChI=1S/C24H21N3O3/c1-16-7-9-18(10-8-16)23-26-24(30-27-23)19-11-13-20(14-12-19)29-15-22(28)25-21-6-4-3-5-17(21)2/h3-14H,15H2,1-2H3,(H,25,28)
• InChIKey: CBASJJOZXIPGQS-UHFFFAOYSA-N
• XLogP: 5.04
• TPSA: 77.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	399.45
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-(2-methylphenyl)-2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide (CID 25237779) is N-(2-methylphenyl)-2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide.

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

The canonical SMILES for N-(2-methylphenyl)-2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide is Cc1ccc(-c2noc(-c3ccc(OCC(=O)Nc4ccccc4C)cc3)n2)cc1.

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

The InChIKey is CBASJJOZXIPGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-16-7-9-18(10-8-16)23-26-24(30-27-23)19-11-13-20(14-12-19)29-15-22(28)25-21-6-4-3-5-17(21)2/h3-14H,15H2,1-2H3,(H,25,28).

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

N-(2-methylphenyl)-2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide has a molecular weight of 399.45 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methylphenyl)-2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide is sourced from PubChem (CID 25237779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).