5-[2-(1H-indol-3-yl)ethyl]-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole

C22H18N4OS — CID 53032056

About 5-[2-(1H-indol-3-yl)ethyl]-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole

5-[2-(1H-indol-3-yl)ethyl]-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole (PubChem CID 53032056) has the molecular formula C22H18N4OS and a molecular weight of 386.48 g/mol. Its IUPAC name is 5-[2-(1H-indol-3-yl)ethyl]-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 5-[2-(1H-indol-3-yl)ethyl]-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole
• PubChem CID: 53032056
• Molecular Formula: C22H18N4OS
• Molecular Weight: 386.48 g/mol
• Exact Mass: 386.12
• IUPAC Name: 5-[2-(1H-indol-3-yl)ethyl]-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole
• SMILES: Cc1nc(-c2cccc(-c3noc(CCc4c[nH]c5ccccc45)n3)c2)cs1
• InChI: InChI=1S/C22H18N4OS/c1-14-24-20(13-28-14)15-5-4-6-16(11-15)22-25-21(27-26-22)10-9-17-12-23-19-8-3-2-7-18(17)19/h2-8,11-13,23H,9-10H2,1H3
• InChIKey: NOMWXTFFLNERIF-UHFFFAOYSA-N
• XLogP: 5.44
• TPSA: 67.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	386.48
LogP ≤ 5	5.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1H-indol-3-yl)ethyl]-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole?

The IUPAC name of 5-[2-(1H-indol-3-yl)ethyl]-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole (CID 53032056) is 5-[2-(1H-indol-3-yl)ethyl]-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole.

What is the SMILES notation for 5-[2-(1H-indol-3-yl)ethyl]-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole?

The canonical SMILES for 5-[2-(1H-indol-3-yl)ethyl]-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole is Cc1nc(-c2cccc(-c3noc(CCc4c[nH]c5ccccc45)n3)c2)cs1.

What is the InChIKey of 5-[2-(1H-indol-3-yl)ethyl]-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole?

The InChIKey is NOMWXTFFLNERIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4OS/c1-14-24-20(13-28-14)15-5-4-6-16(11-15)22-25-21(27-26-22)10-9-17-12-23-19-8-3-2-7-18(17)19/h2-8,11-13,23H,9-10H2,1H3.

What are the key properties of 5-[2-(1H-indol-3-yl)ethyl]-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole?

5-[2-(1H-indol-3-yl)ethyl]-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole has a molecular weight of 386.48 g/mol, XLogP of 5.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(1H-indol-3-yl)ethyl]-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 53032056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).