2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3-methylthiophen-2-yl)ethyl]benzamide

C22H18ClN3O2S — CID 46288609

About 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3-methylthiophen-2-yl)ethyl]benzamide

2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3-methylthiophen-2-yl)ethyl]benzamide (PubChem CID 46288609) has the molecular formula C22H18ClN3O2S and a molecular weight of 423.93 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3-methylthiophen-2-yl)ethyl]benzamide.

Molecular Properties

• Compound Name: 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3-methylthiophen-2-yl)ethyl]benzamide
• PubChem CID: 46288609
• Molecular Formula: C22H18ClN3O2S
• Molecular Weight: 423.93 g/mol
• Exact Mass: 423.08
• IUPAC Name: 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3-methylthiophen-2-yl)ethyl]benzamide
• SMILES: Cc1ccsc1CCNC(=O)c1ccccc1-c1nc(-c2ccc(Cl)cc2)no1
• InChI: InChI=1S/C22H18ClN3O2S/c1-14-11-13-29-19(14)10-12-24-21(27)17-4-2-3-5-18(17)22-25-20(26-28-22)15-6-8-16(23)9-7-15/h2-9,11,13H,10,12H2,1H3,(H,24,27)
• InChIKey: JLDPNLXUOQNUKE-UHFFFAOYSA-N
• XLogP: 5.40
• TPSA: 68.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	423.93
LogP ≤ 5	5.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3-methylthiophen-2-yl)ethyl]benzamide?

The IUPAC name of 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3-methylthiophen-2-yl)ethyl]benzamide (CID 46288609) is 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3-methylthiophen-2-yl)ethyl]benzamide.

What is the SMILES notation for 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3-methylthiophen-2-yl)ethyl]benzamide?

The canonical SMILES for 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3-methylthiophen-2-yl)ethyl]benzamide is Cc1ccsc1CCNC(=O)c1ccccc1-c1nc(-c2ccc(Cl)cc2)no1.

What is the InChIKey of 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3-methylthiophen-2-yl)ethyl]benzamide?

The InChIKey is JLDPNLXUOQNUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O2S/c1-14-11-13-29-19(14)10-12-24-21(27)17-4-2-3-5-18(17)22-25-20(26-28-22)15-6-8-16(23)9-7-15/h2-9,11,13H,10,12H2,1H3,(H,24,27).

What are the key properties of 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3-methylthiophen-2-yl)ethyl]benzamide?

2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3-methylthiophen-2-yl)ethyl]benzamide has a molecular weight of 423.93 g/mol, XLogP of 5.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3-methylthiophen-2-yl)ethyl]benzamide is sourced from PubChem (CID 46288609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).