5-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole

C24H16ClF3N4O2 — CID 172839974

About 5-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole

5-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 172839974) has the molecular formula C24H16ClF3N4O2 and a molecular weight of 484.87 g/mol. Its IUPAC name is 5-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 5-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
• PubChem CID: 172839974
• Molecular Formula: C24H16ClF3N4O2
• Molecular Weight: 484.87 g/mol
• Exact Mass: 484.09
• IUPAC Name: 5-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
• SMILES: COc1ccc2c(c1)c(-c1nc(-c3ccncc3)no1)c(C(F)(F)F)n2Cc1ccc(Cl)cc1
• InChI: InChI=1S/C24H16ClF3N4O2/c1-33-17-6-7-19-18(12-17)20(23-30-22(31-34-23)15-8-10-29-11-9-15)21(24(26,27)28)32(19)13-14-2-4-16(25)5-3-14/h2-12H,13H2,1H3
• InChIKey: WQWGMJSSNKSPJB-UHFFFAOYSA-N
• XLogP: 6.48
• TPSA: 65.97 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.87
LogP ≤ 5	6.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole?

The IUPAC name of 5-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole (CID 172839974) is 5-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole.

What is the SMILES notation for 5-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole?

The canonical SMILES for 5-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole is COc1ccc2c(c1)c(-c1nc(-c3ccncc3)no1)c(C(F)(F)F)n2Cc1ccc(Cl)cc1.

What is the InChIKey of 5-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole?

The InChIKey is WQWGMJSSNKSPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClF3N4O2/c1-33-17-6-7-19-18(12-17)20(23-30-22(31-34-23)15-8-10-29-11-9-15)21(24(26,27)28)32(19)13-14-2-4-16(25)5-3-14/h2-12H,13H2,1H3.

What are the key properties of 5-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole?

5-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 484.87 g/mol, XLogP of 6.48, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 172839974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).