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

C25H23N3O3 — CID 50746105

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

N-(2,3-dimethylphenyl)-2-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide (PubChem CID 50746105) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide.

Molecular Properties

• Compound Name: N-(2,3-dimethylphenyl)-2-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
• PubChem CID: 50746105
• Molecular Formula: C25H23N3O3
• Molecular Weight: 413.48 g/mol
• Exact Mass: 413.17
• IUPAC Name: N-(2,3-dimethylphenyl)-2-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
• SMILES: Cc1cccc(-c2noc(-c3ccccc3OCC(=O)Nc3cccc(C)c3C)n2)c1
• InChI: InChI=1S/C25H23N3O3/c1-16-8-6-10-19(14-16)24-27-25(31-28-24)20-11-4-5-13-22(20)30-15-23(29)26-21-12-7-9-17(2)18(21)3/h4-14H,15H2,1-3H3,(H,26,29)
• InChIKey: RPHXKUFSNWPVRW-UHFFFAOYSA-N
• XLogP: 5.35
• TPSA: 77.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	413.48
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-(2,3-dimethylphenyl)-2-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide (CID 50746105) is N-(2,3-dimethylphenyl)-2-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide.

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

The canonical SMILES for N-(2,3-dimethylphenyl)-2-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide is Cc1cccc(-c2noc(-c3ccccc3OCC(=O)Nc3cccc(C)c3C)n2)c1.

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

The InChIKey is RPHXKUFSNWPVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-16-8-6-10-19(14-16)24-27-25(31-28-24)20-11-4-5-13-22(20)30-15-23(29)26-21-12-7-9-17(2)18(21)3/h4-14H,15H2,1-3H3,(H,26,29).

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

N-(2,3-dimethylphenyl)-2-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide has a molecular weight of 413.48 g/mol, XLogP of 5.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dimethylphenyl)-2-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide is sourced from PubChem (CID 50746105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).