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

C23H18ClN3O3 — CID 45032393

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

N-(3-chlorophenyl)-2-[3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide (PubChem CID 45032393) has the molecular formula C23H18ClN3O3 and a molecular weight of 419.87 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide.

Molecular Properties

• Compound Name: N-(3-chlorophenyl)-2-[3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
• PubChem CID: 45032393
• Molecular Formula: C23H18ClN3O3
• Molecular Weight: 419.87 g/mol
• Exact Mass: 419.10
• IUPAC Name: N-(3-chlorophenyl)-2-[3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
• SMILES: Cc1cccc(-c2nc(-c3cccc(OCC(=O)Nc4cccc(Cl)c4)c3)no2)c1
• InChI: InChI=1S/C23H18ClN3O3/c1-15-5-2-7-17(11-15)23-26-22(27-30-23)16-6-3-10-20(12-16)29-14-21(28)25-19-9-4-8-18(24)13-19/h2-13H,14H2,1H3,(H,25,28)
• InChIKey: LZZIIWSYRKJNTN-UHFFFAOYSA-N
• XLogP: 5.38
• 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	419.87
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-(3-chlorophenyl)-2-[3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide (CID 45032393) is N-(3-chlorophenyl)-2-[3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide.

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

The canonical SMILES for N-(3-chlorophenyl)-2-[3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide is Cc1cccc(-c2nc(-c3cccc(OCC(=O)Nc4cccc(Cl)c4)c3)no2)c1.

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

The InChIKey is LZZIIWSYRKJNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O3/c1-15-5-2-7-17(11-15)23-26-22(27-30-23)16-6-3-10-20(12-16)29-14-21(28)25-19-9-4-8-18(24)13-19/h2-13H,14H2,1H3,(H,25,28).

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

N-(3-chlorophenyl)-2-[3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide has a molecular weight of 419.87 g/mol, XLogP of 5.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chlorophenyl)-2-[3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide is sourced from PubChem (CID 45032393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).