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

C26H17ClF3N3O3 — CID 67245410

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

[1-[(4-chlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone (PubChem CID 67245410) has the molecular formula C26H17ClF3N3O3 and a molecular weight of 511.89 g/mol. Its IUPAC name is [1-[(4-chlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone.

Molecular Properties

• Compound Name: [1-[(4-chlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone
• PubChem CID: 67245410
• Molecular Formula: C26H17ClF3N3O3
• Molecular Weight: 511.89 g/mol
• Exact Mass: 511.09
• IUPAC Name: [1-[(4-chlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone
• SMILES: COc1ccc2c(c1)c(C(=O)c1ncc(-c3ccccn3)o1)c(C(F)(F)F)n2Cc1ccc(Cl)cc1
• InChI: InChI=1S/C26H17ClF3N3O3/c1-35-17-9-10-20-18(12-17)22(23(34)25-32-13-21(36-25)19-4-2-3-11-31-19)24(26(28,29)30)33(20)14-15-5-7-16(27)8-6-15/h2-13H,14H2,1H3
• InChIKey: ZYYRLUWCOWMROP-UHFFFAOYSA-N
• XLogP: 6.65
• TPSA: 70.15 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	511.89
LogP ≤ 5	6.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of [1-[(4-chlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone (CID 67245410) is [1-[(4-chlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone.

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

The canonical SMILES for [1-[(4-chlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone is COc1ccc2c(c1)c(C(=O)c1ncc(-c3ccccn3)o1)c(C(F)(F)F)n2Cc1ccc(Cl)cc1.

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

The InChIKey is ZYYRLUWCOWMROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17ClF3N3O3/c1-35-17-9-10-20-18(12-17)22(23(34)25-32-13-21(36-25)19-4-2-3-11-31-19)24(26(28,29)30)33(20)14-15-5-7-16(27)8-6-15/h2-13H,14H2,1H3.

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

[1-[(4-chlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone has a molecular weight of 511.89 g/mol, XLogP of 6.65, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[(4-chlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone is sourced from PubChem (CID 67245410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).