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

C79H51Cl4F9N8O8 — CID 87661237

IUPAC[1-[(4-chlorophenyl)methyl]-5-ethoxy-2-(trifluoromethyl)indol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone;[1-[(4-chlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone;[1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(2-pyrimidin-4-yl-1,3-oxazol-5-yl)methanone
SMILESCCOc1ccc2c(c1)c(C(=O)c1ncc(-c3ccccc3)o1)c(C(F)(F)F)n2Cc1ccc(Cl)cc1.COc1ccc2c(c1)c(C(=O)c1ncc(-c3ccccc3)o1)c(C(F)(F)F)n2Cc1ccc(Cl)cc1.O=C(c1cnc(-c2ccncn2)o1)c1c(C(F)(F)F)n(Cc2ccc(Cl)cc2Cl)c2ccccc12
InChIInChI=1S/C28H20ClF3N2O3.C27H18ClF3N2O3.C24H13Cl2F3N4O2/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;1-35-19-11-12-21-20(13-19)23(24(34)26-32-14-22(36-26)17-5-3-2-4-6-17)25(27(29,30)31)33(21)15-16-7-9-18(28)10-8-16;25-14-6-5-13(16(26)9-14)11-33-18-4-2-1-3-15(18)20(22(33)24(27,28)29)21(34)19-10-31-23(35-19)17-7-8-30-12-32-17/h3-15H,2,16H2,1H3;2-14H,15H2,1H3;1-10,12H,11H2
InChIKeyVXCWINWOYLILBM-UHFFFAOYSA-N
MW1553.12 g/mol
LogP21.59
Rot. Bonds18

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

[1-[(4-chlorophenyl)methyl]-5-ethoxy-2-(trifluoromethyl)indol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone;[1-[(4-chlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone;[1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(2-pyrimidin-4-yl-1,3-oxazol-5-yl)methanone (PubChem CID 87661237) has the molecular formula C79H51Cl4F9N8O8 and a molecular weight of 1553.12 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;[1-[(4-chlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone;[1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(2-pyrimidin-4-yl-1,3-oxazol-5-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;[1-[(4-chlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone;[1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(2-pyrimidin-4-yl-1,3-oxazol-5-yl)methanone
PubChem CID87661237
Molecular FormulaC79H51Cl4F9N8O8
Molecular Weight1553.12 g/mol
Exact Mass1550.24
IUPAC Name[1-[(4-chlorophenyl)methyl]-5-ethoxy-2-(trifluoromethyl)indol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone;[1-[(4-chlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone;[1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(2-pyrimidin-4-yl-1,3-oxazol-5-yl)methanone
SMILESCCOc1ccc2c(c1)c(C(=O)c1ncc(-c3ccccc3)o1)c(C(F)(F)F)n2Cc1ccc(Cl)cc1.COc1ccc2c(c1)c(C(=O)c1ncc(-c3ccccc3)o1)c(C(F)(F)F)n2Cc1ccc(Cl)cc1.O=C(c1cnc(-c2ccncn2)o1)c1c(C(F)(F)F)n(Cc2ccc(Cl)cc2Cl)c2ccccc12
InChIInChI=1S/C28H20ClF3N2O3.C27H18ClF3N2O3.C24H13Cl2F3N4O2/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;1-35-19-11-12-21-20(13-19)23(24(34)26-32-14-22(36-26)17-5-3-2-4-6-17)25(27(29,30)31)33(21)15-16-7-9-18(28)10-8-16;25-14-6-5-13(16(26)9-14)11-33-18-4-2-1-3-15(18)20(22(33)24(27,28)29)21(34)19-10-31-23(35-19)17-7-8-30-12-32-17/h3-15H,2,16H2,1H3;2-14H,15H2,1H3;1-10,12H,11H2
InChIKeyVXCWINWOYLILBM-UHFFFAOYSA-N
XLogP21.59
TPSA188.33 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds18
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001553.12
LogP ≤ 521.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze [1-[(4-chlorophenyl)methyl]-5-ethoxy-2-(trifluoromethyl)indol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone;[1-[(4-chlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone;[1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(2-pyrimidin-4-yl-1,3-oxazol-5-yl)methanone with MolForge

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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;[1-[(4-chlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone;[1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(2-pyrimidin-4-yl-1,3-oxazol-5-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;[1-[(4-chlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone;[1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(2-pyrimidin-4-yl-1,3-oxazol-5-yl)methanone (CID 87661237) is [1-[(4-chlorophenyl)methyl]-5-ethoxy-2-(trifluoromethyl)indol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone;[1-[(4-chlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone;[1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(2-pyrimidin-4-yl-1,3-oxazol-5-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;[1-[(4-chlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone;[1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(2-pyrimidin-4-yl-1,3-oxazol-5-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;[1-[(4-chlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone;[1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(2-pyrimidin-4-yl-1,3-oxazol-5-yl)methanone is CCOc1ccc2c(c1)c(C(=O)c1ncc(-c3ccccc3)o1)c(C(F)(F)F)n2Cc1ccc(Cl)cc1.COc1ccc2c(c1)c(C(=O)c1ncc(-c3ccccc3)o1)c(C(F)(F)F)n2Cc1ccc(Cl)cc1.O=C(c1cnc(-c2ccncn2)o1)c1c(C(F)(F)F)n(Cc2ccc(Cl)cc2Cl)c2ccccc12.
What is the InChIKey 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-methoxy-2-(trifluoromethyl)indol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone;[1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(2-pyrimidin-4-yl-1,3-oxazol-5-yl)methanone?
The InChIKey is VXCWINWOYLILBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20ClF3N2O3.C27H18ClF3N2O3.C24H13Cl2F3N4O2/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;1-35-19-11-12-21-20(13-19)23(24(34)26-32-14-22(36-26)17-5-3-2-4-6-17)25(27(29,30)31)33(21)15-16-7-9-18(28)10-8-16;25-14-6-5-13(16(26)9-14)11-33-18-4-2-1-3-15(18)20(22(33)24(27,28)29)21(34)19-10-31-23(35-19)17-7-8-30-12-32-17/h3-15H,2,16H2,1H3;2-14H,15H2,1H3;1-10,12H,11H2.
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-methoxy-2-(trifluoromethyl)indol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone;[1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(2-pyrimidin-4-yl-1,3-oxazol-5-yl)methanone?
[1-[(4-chlorophenyl)methyl]-5-ethoxy-2-(trifluoromethyl)indol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone;[1-[(4-chlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone;[1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(2-pyrimidin-4-yl-1,3-oxazol-5-yl)methanone has a molecular weight of 1553.12 g/mol, XLogP of 21.59, 18 rotatable bonds, 0 hydrogen bond donors, and 16 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;[1-[(4-chlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone;[1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(2-pyrimidin-4-yl-1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 87661237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).