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

C81H54Cl3F9N6O9 — CID 87661328

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

[1-[(4-chlorophenyl)methyl]-5-ethoxy-2-(trifluoromethyl)indol-3-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone;[1-[(4-chlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone;[1-[(4-chlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone (PubChem CID 87661328) has the molecular formula C81H54Cl3F9N6O9 and a molecular weight of 1532.70 g/mol. Its IUPAC name is [1-[(4-chlorophenyl)methyl]-5-ethoxy-2-(trifluoromethyl)indol-3-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone;[1-[(4-chlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone;[1-[(4-chlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone.

Molecular Properties

• Compound Name: [1-[(4-chlorophenyl)methyl]-5-ethoxy-2-(trifluoromethyl)indol-3-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone;[1-[(4-chlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone;[1-[(4-chlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone
• PubChem CID: 87661328
• Molecular Formula: C81H54Cl3F9N6O9
• Molecular Weight: 1532.70 g/mol
• Exact Mass: 1530.29
• IUPAC Name: [1-[(4-chlorophenyl)methyl]-5-ethoxy-2-(trifluoromethyl)indol-3-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone;[1-[(4-chlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone;[1-[(4-chlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone
• SMILES: CCOc1ccc2c(c1)c(C(=O)c1cnc(-c3ccccc3)o1)c(C(F)(F)F)n2Cc1ccc(Cl)cc1.COc1ccc2c(c1)c(C(=O)c1cnc(-c3ccccc3)o1)c(C(F)(F)F)n2Cc1ccc(Cl)cc1.O=C(c1cnc(-c2ccccc2)o1)c1c(C(F)(F)F)n(Cc2ccc(Cl)cc2)c2ccc(O)cc12
• InChI: InChI=1S/C28H20ClF3N2O3.C27H18ClF3N2O3.C26H16ClF3N2O3/c1-2-36-20-12-13-22-21(14-20)24(25(35)23-15-33-27(37-23)18-6-4-3-5-7-18)26(28(30,31)32)34(22)16-17-8-10-19(29)11-9-17;1-35-19-11-12-21-20(13-19)23(24(34)22-14-32-26(36-22)17-5-3-2-4-6-17)25(27(29,30)31)33(21)15-16-7-9-18(28)10-8-16;27-17-8-6-15(7-9-17)14-32-20-11-10-18(33)12-19(20)22(24(32)26(28,29)30)23(34)21-13-31-25(35-21)16-4-2-1-3-5-16/h3-15H,2,16H2,1H3;2-14H,15H2,1H3;1-13,33H,14H2
• InChIKey: MMSCFXJKAIDVNW-UHFFFAOYSA-N
• XLogP: 21.86
• TPSA: 182.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 18
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1532.70
LogP ≤ 5	21.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

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

The IUPAC name of [1-[(4-chlorophenyl)methyl]-5-ethoxy-2-(trifluoromethyl)indol-3-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone;[1-[(4-chlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone;[1-[(4-chlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone (CID 87661328) is [1-[(4-chlorophenyl)methyl]-5-ethoxy-2-(trifluoromethyl)indol-3-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone;[1-[(4-chlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone;[1-[(4-chlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone.

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

The canonical SMILES for [1-[(4-chlorophenyl)methyl]-5-ethoxy-2-(trifluoromethyl)indol-3-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone;[1-[(4-chlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone;[1-[(4-chlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone is CCOc1ccc2c(c1)c(C(=O)c1cnc(-c3ccccc3)o1)c(C(F)(F)F)n2Cc1ccc(Cl)cc1.COc1ccc2c(c1)c(C(=O)c1cnc(-c3ccccc3)o1)c(C(F)(F)F)n2Cc1ccc(Cl)cc1.O=C(c1cnc(-c2ccccc2)o1)c1c(C(F)(F)F)n(Cc2ccc(Cl)cc2)c2ccc(O)cc12.

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

The InChIKey is MMSCFXJKAIDVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20ClF3N2O3.C27H18ClF3N2O3.C26H16ClF3N2O3/c1-2-36-20-12-13-22-21(14-20)24(25(35)23-15-33-27(37-23)18-6-4-3-5-7-18)26(28(30,31)32)34(22)16-17-8-10-19(29)11-9-17;1-35-19-11-12-21-20(13-19)23(24(34)22-14-32-26(36-22)17-5-3-2-4-6-17)25(27(29,30)31)33(21)15-16-7-9-18(28)10-8-16;27-17-8-6-15(7-9-17)14-32-20-11-10-18(33)12-19(20)22(24(32)26(28,29)30)23(34)21-13-31-25(35-21)16-4-2-1-3-5-16/h3-15H,2,16H2,1H3;2-14H,15H2,1H3;1-13,33H,14H2.

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

[1-[(4-chlorophenyl)methyl]-5-ethoxy-2-(trifluoromethyl)indol-3-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone;[1-[(4-chlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone;[1-[(4-chlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone has a molecular weight of 1532.70 g/mol, XLogP of 21.86, 18 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[(4-chlorophenyl)methyl]-5-ethoxy-2-(trifluoromethyl)indol-3-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone;[1-[(4-chlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone;[1-[(4-chlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 87661328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).