[1-[(4-chlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methanone

C24H14ClF3N4O3 — CID 67243630

About [1-[(4-chlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methanone

[1-[(4-chlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methanone (PubChem CID 67243630) has the molecular formula C24H14ClF3N4O3 and a molecular weight of 498.85 g/mol. Its IUPAC name is [1-[(4-chlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methanone.

Molecular Properties

• Compound Name: [1-[(4-chlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methanone
• PubChem CID: 67243630
• Molecular Formula: C24H14ClF3N4O3
• Molecular Weight: 498.85 g/mol
• Exact Mass: 498.07
• IUPAC Name: [1-[(4-chlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methanone
• SMILES: O=C(c1nnc(-c2ccccn2)o1)c1c(C(F)(F)F)n(Cc2ccc(Cl)cc2)c2ccc(O)cc12
• InChI: InChI=1S/C24H14ClF3N4O3/c25-14-6-4-13(5-7-14)12-32-18-9-8-15(33)11-16(18)19(21(32)24(26,27)28)20(34)23-31-30-22(35-23)17-3-1-2-10-29-17/h1-11,33H,12H2
• InChIKey: POQSFIBZDWDMHI-UHFFFAOYSA-N
• XLogP: 5.74
• TPSA: 94.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.85
LogP ≤ 5	5.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of [1-[(4-chlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methanone (CID 67243630) is [1-[(4-chlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methanone.

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

The canonical SMILES for [1-[(4-chlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methanone is O=C(c1nnc(-c2ccccn2)o1)c1c(C(F)(F)F)n(Cc2ccc(Cl)cc2)c2ccc(O)cc12.

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

The InChIKey is POQSFIBZDWDMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14ClF3N4O3/c25-14-6-4-13(5-7-14)12-32-18-9-8-15(33)11-16(18)19(21(32)24(26,27)28)20(34)23-31-30-22(35-23)17-3-1-2-10-29-17/h1-11,33H,12H2.

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

[1-[(4-chlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methanone has a molecular weight of 498.85 g/mol, XLogP of 5.74, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[(4-chlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methanone is sourced from PubChem (CID 67243630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).