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

C24H20ClN3O4 — CID 25238000

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

N-(3-chloro-2-methylphenyl)-2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide (PubChem CID 25238000) has the molecular formula C24H20ClN3O4 and a molecular weight of 449.89 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide.

Molecular Properties

• Compound Name: N-(3-chloro-2-methylphenyl)-2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
• PubChem CID: 25238000
• Molecular Formula: C24H20ClN3O4
• Molecular Weight: 449.89 g/mol
• Exact Mass: 449.11
• IUPAC Name: N-(3-chloro-2-methylphenyl)-2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
• SMILES: COc1ccc(-c2noc(-c3ccc(OCC(=O)Nc4cccc(Cl)c4C)cc3)n2)cc1
• InChI: InChI=1S/C24H20ClN3O4/c1-15-20(25)4-3-5-21(15)26-22(29)14-31-19-12-8-17(9-13-19)24-27-23(28-32-24)16-6-10-18(30-2)11-7-16/h3-13H,14H2,1-2H3,(H,26,29)
• InChIKey: JDRPSHBKTOCXJX-UHFFFAOYSA-N
• XLogP: 5.39
• TPSA: 86.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	449.89
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-(3-chloro-2-methylphenyl)-2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide (CID 25238000) is N-(3-chloro-2-methylphenyl)-2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide.

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

The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide is COc1ccc(-c2noc(-c3ccc(OCC(=O)Nc4cccc(Cl)c4C)cc3)n2)cc1.

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

The InChIKey is JDRPSHBKTOCXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O4/c1-15-20(25)4-3-5-21(15)26-22(29)14-31-19-12-8-17(9-13-19)24-27-23(28-32-24)16-6-10-18(30-2)11-7-16/h3-13H,14H2,1-2H3,(H,26,29).

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

N-(3-chloro-2-methylphenyl)-2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide has a molecular weight of 449.89 g/mol, XLogP of 5.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chloro-2-methylphenyl)-2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide is sourced from PubChem (CID 25238000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).