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

C24H21N3O3 — CID 45032399

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

N-(3-methylphenyl)-2-[3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide (PubChem CID 45032399) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-[3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide.

Molecular Properties

• Compound Name: N-(3-methylphenyl)-2-[3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
• PubChem CID: 45032399
• Molecular Formula: C24H21N3O3
• Molecular Weight: 399.45 g/mol
• Exact Mass: 399.16
• IUPAC Name: N-(3-methylphenyl)-2-[3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
• SMILES: Cc1cccc(NC(=O)COc2cccc(-c3noc(-c4ccccc4C)n3)c2)c1
• InChI: InChI=1S/C24H21N3O3/c1-16-7-5-10-19(13-16)25-22(28)15-29-20-11-6-9-18(14-20)23-26-24(30-27-23)21-12-4-3-8-17(21)2/h3-14H,15H2,1-2H3,(H,25,28)
• InChIKey: IWZFCFDTGSWKHW-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-(3-methylphenyl)-2-[3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide?

The IUPAC name of N-(3-methylphenyl)-2-[3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide (CID 45032399) is N-(3-methylphenyl)-2-[3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide.

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

The canonical SMILES for N-(3-methylphenyl)-2-[3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide is Cc1cccc(NC(=O)COc2cccc(-c3noc(-c4ccccc4C)n3)c2)c1.

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

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

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

N-(3-methylphenyl)-2-[3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-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-(3-methylphenyl)-2-[3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide is sourced from PubChem (CID 45032399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).