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

C25H13Cl3F3N3O2 — CID 87323012

IUPAC[5-chloro-1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-4-yl-1,3-oxazol-2-yl)methanone
SMILESO=C(c1ncc(-c2ccncc2)o1)c1c(C(F)(F)F)n(Cc2ccc(Cl)cc2Cl)c2ccc(Cl)cc12
InChIInChI=1S/C25H13Cl3F3N3O2/c26-15-3-4-19-17(9-15)21(22(35)24-33-11-20(36-24)13-5-7-32-8-6-13)23(25(29,30)31)34(19)12-14-1-2-16(27)10-18(14)28/h1-11H,12H2
InChIKeyRRCIOLRYFVVWMY-UHFFFAOYSA-N
MW550.75 g/mol
LogP7.95
Rot. Bonds5

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

[5-chloro-1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-4-yl-1,3-oxazol-2-yl)methanone (PubChem CID 87323012) has the molecular formula C25H13Cl3F3N3O2 and a molecular weight of 550.75 g/mol. Its IUPAC name is [5-chloro-1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-4-yl-1,3-oxazol-2-yl)methanone.

Molecular Properties

Compound Name[5-chloro-1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-4-yl-1,3-oxazol-2-yl)methanone
PubChem CID87323012
Molecular FormulaC25H13Cl3F3N3O2
Molecular Weight550.75 g/mol
Exact Mass549.00
IUPAC Name[5-chloro-1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-4-yl-1,3-oxazol-2-yl)methanone
SMILESO=C(c1ncc(-c2ccncc2)o1)c1c(C(F)(F)F)n(Cc2ccc(Cl)cc2Cl)c2ccc(Cl)cc12
InChIInChI=1S/C25H13Cl3F3N3O2/c26-15-3-4-19-17(9-15)21(22(35)24-33-11-20(36-24)13-5-7-32-8-6-13)23(25(29,30)31)34(19)12-14-1-2-16(27)10-18(14)28/h1-11H,12H2
InChIKeyRRCIOLRYFVVWMY-UHFFFAOYSA-N
XLogP7.95
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.75
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(2,4-dichlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-3-yl-1,3-oxazol-2-yl)methanone
CID 67245902
[1-[(2,4-dichlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone
CID 67244459
[2-chloro-1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-(5-pyridin-4-yl-1,3-oxazol-2-yl)methanone
CID 67243796
[2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-methoxyindol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone
CID 67245188
[1-[(4-chlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-(5-pyrimidin-4-yl-1,3-oxazol-2-yl)methanone
CID 67247271
[5-chloro-1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(5-pyrimidin-4-yl-1,2,4-oxadiazol-3-yl)methanone
CID 87322899
[1-[(4-chlorophenyl)methyl]-5-ethoxy-2-(trifluoromethyl)indol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone
CID 67243006
[1-[(2,4-dichlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone
CID 67243688
[2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-ethoxyindol-3-yl]-(5-pyridin-3-yl-1,3-oxazol-2-yl)methanone
CID 67243935
[1-[(2,4-dichlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methanone
CID 67243544
[1-chloro-2-[(2,4-dichlorophenyl)methyl]indol-3-yl]-(5-pyridin-4-yl-1,3-oxazol-2-yl)methanone
CID 140541150
2-[5-chloro-1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-2-oxo-N-pyridin-2-ylacetamide
CID 87619544

Frequently Asked Questions

What is the IUPAC name of [5-chloro-1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-4-yl-1,3-oxazol-2-yl)methanone?
The IUPAC name of [5-chloro-1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-4-yl-1,3-oxazol-2-yl)methanone (CID 87323012) is [5-chloro-1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-4-yl-1,3-oxazol-2-yl)methanone.
What is the SMILES notation for [5-chloro-1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-4-yl-1,3-oxazol-2-yl)methanone?
The canonical SMILES for [5-chloro-1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-4-yl-1,3-oxazol-2-yl)methanone is O=C(c1ncc(-c2ccncc2)o1)c1c(C(F)(F)F)n(Cc2ccc(Cl)cc2Cl)c2ccc(Cl)cc12.
What is the InChIKey of [5-chloro-1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-4-yl-1,3-oxazol-2-yl)methanone?
The InChIKey is RRCIOLRYFVVWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H13Cl3F3N3O2/c26-15-3-4-19-17(9-15)21(22(35)24-33-11-20(36-24)13-5-7-32-8-6-13)23(25(29,30)31)34(19)12-14-1-2-16(27)10-18(14)28/h1-11H,12H2.
What are the key properties of [5-chloro-1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-4-yl-1,3-oxazol-2-yl)methanone?
[5-chloro-1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-4-yl-1,3-oxazol-2-yl)methanone has a molecular weight of 550.75 g/mol, XLogP of 7.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-4-yl-1,3-oxazol-2-yl)methanone is sourced from PubChem (CID 87323012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).