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

C28H20ClF3N2O3 — CID 67243006

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

[1-[(4-chlorophenyl)methyl]-5-ethoxy-2-(trifluoromethyl)indol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone (PubChem CID 67243006) has the molecular formula C28H20ClF3N2O3 and a molecular weight of 524.93 g/mol. Its IUPAC name is [1-[(4-chlorophenyl)methyl]-5-ethoxy-2-(trifluoromethyl)indol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone.

Molecular Properties

• Compound Name: [1-[(4-chlorophenyl)methyl]-5-ethoxy-2-(trifluoromethyl)indol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone
• PubChem CID: 67243006
• Molecular Formula: C28H20ClF3N2O3
• Molecular Weight: 524.93 g/mol
• Exact Mass: 524.11
• IUPAC Name: [1-[(4-chlorophenyl)methyl]-5-ethoxy-2-(trifluoromethyl)indol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone
• SMILES: CCOc1ccc2c(c1)c(C(=O)c1ncc(-c3ccccc3)o1)c(C(F)(F)F)n2Cc1ccc(Cl)cc1
• InChI: InChI=1S/C28H20ClF3N2O3/c1-2-36-20-12-13-22-21(14-20)24(25(35)27-33-15-23(37-27)18-6-4-3-5-7-18)26(28(30,31)32)34(22)16-17-8-10-19(29)11-9-17/h3-15H,2,16H2,1H3
• InChIKey: QAMXTCINNKOHCL-UHFFFAOYSA-N
• XLogP: 7.65
• TPSA: 57.26 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.93
LogP ≤ 5	7.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of [1-[(4-chlorophenyl)methyl]-5-ethoxy-2-(trifluoromethyl)indol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone (CID 67243006) is [1-[(4-chlorophenyl)methyl]-5-ethoxy-2-(trifluoromethyl)indol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone.

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

The canonical SMILES for [1-[(4-chlorophenyl)methyl]-5-ethoxy-2-(trifluoromethyl)indol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone is CCOc1ccc2c(c1)c(C(=O)c1ncc(-c3ccccc3)o1)c(C(F)(F)F)n2Cc1ccc(Cl)cc1.

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

The InChIKey is QAMXTCINNKOHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20ClF3N2O3/c1-2-36-20-12-13-22-21(14-20)24(25(35)27-33-15-23(37-27)18-6-4-3-5-7-18)26(28(30,31)32)34(22)16-17-8-10-19(29)11-9-17/h3-15H,2,16H2,1H3.

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

[1-[(4-chlorophenyl)methyl]-5-ethoxy-2-(trifluoromethyl)indol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone has a molecular weight of 524.93 g/mol, XLogP of 7.65, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[(4-chlorophenyl)methyl]-5-ethoxy-2-(trifluoromethyl)indol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone is sourced from PubChem (CID 67243006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).