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

C25H23N3O3 — CID 25238239

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

N-[(2,5-dimethylphenyl)methyl]-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide (PubChem CID 25238239) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-[(2,5-dimethylphenyl)methyl]-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide.

Molecular Properties

• Compound Name: N-[(2,5-dimethylphenyl)methyl]-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
• PubChem CID: 25238239
• Molecular Formula: C25H23N3O3
• Molecular Weight: 413.48 g/mol
• Exact Mass: 413.17
• IUPAC Name: N-[(2,5-dimethylphenyl)methyl]-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
• SMILES: Cc1ccc(C)c(CNC(=O)COc2ccc(-c3nc(-c4ccccc4)no3)cc2)c1
• InChI: InChI=1S/C25H23N3O3/c1-17-8-9-18(2)21(14-17)15-26-23(29)16-30-22-12-10-20(11-13-22)25-27-24(28-31-25)19-6-4-3-5-7-19/h3-14H,15-16H2,1-2H3,(H,26,29)
• InChIKey: GQDZEEPFMRYSAZ-UHFFFAOYSA-N
• XLogP: 4.72
• TPSA: 77.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.48
LogP ≤ 5	4.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[(2,5-dimethylphenyl)methyl]-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide (CID 25238239) is N-[(2,5-dimethylphenyl)methyl]-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide.

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

The canonical SMILES for N-[(2,5-dimethylphenyl)methyl]-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide is Cc1ccc(C)c(CNC(=O)COc2ccc(-c3nc(-c4ccccc4)no3)cc2)c1.

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

The InChIKey is GQDZEEPFMRYSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-17-8-9-18(2)21(14-17)15-26-23(29)16-30-22-12-10-20(11-13-22)25-27-24(28-31-25)19-6-4-3-5-7-19/h3-14H,15-16H2,1-2H3,(H,26,29).

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

N-[(2,5-dimethylphenyl)methyl]-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide has a molecular weight of 413.48 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2,5-dimethylphenyl)methyl]-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide is sourced from PubChem (CID 25238239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).