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

C24H13Cl2F3N4O3 — CID 67243000

IUPAC[1-[(2,4-dichlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methanone
SMILESO=C(c1nc(-c2cccnc2)no1)c1c(C(F)(F)F)n(Cc2ccc(Cl)cc2Cl)c2ccc(O)cc12
InChIInChI=1S/C24H13Cl2F3N4O3/c25-14-4-3-13(17(26)8-14)11-33-18-6-5-15(34)9-16(18)19(21(33)24(27,28)29)20(35)23-31-22(32-36-23)12-2-1-7-30-10-12/h1-10,34H,11H2
InChIKeyQFKCMJXBNINAGO-UHFFFAOYSA-N
MW533.29 g/mol
LogP6.40
Rot. Bonds5

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

[1-[(2,4-dichlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methanone (PubChem CID 67243000) has the molecular formula C24H13Cl2F3N4O3 and a molecular weight of 533.29 g/mol. Its IUPAC name is [1-[(2,4-dichlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methanone.

Molecular Properties

Compound Name[1-[(2,4-dichlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methanone
PubChem CID67243000
Molecular FormulaC24H13Cl2F3N4O3
Molecular Weight533.29 g/mol
Exact Mass532.03
IUPAC Name[1-[(2,4-dichlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methanone
SMILESO=C(c1nc(-c2cccnc2)no1)c1c(C(F)(F)F)n(Cc2ccc(Cl)cc2Cl)c2ccc(O)cc12
InChIInChI=1S/C24H13Cl2F3N4O3/c25-14-4-3-13(17(26)8-14)11-33-18-6-5-15(34)9-16(18)19(21(33)24(27,28)29)20(35)23-31-22(32-36-23)12-2-1-7-30-10-12/h1-10,34H,11H2
InChIKeyQFKCMJXBNINAGO-UHFFFAOYSA-N
XLogP6.40
TPSA94.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.29
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[1-[(4-Chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanone
CID 44589229
[3-(5-Chloro-1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]-(5-methoxy-1-methylindol-3-yl)methanone
CID 155809390
[5-Chloro-1-[(4-chlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methanone
CID 67242991
[5-Chloro-1-[(4-chlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methanone
CID 67243041
[1-[(2,4-Dichlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-(5-pyrimidin-4-yl-1,3-oxazol-2-yl)methanone
CID 67243105
[1-[(2,4-Dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)methanone
CID 67243120
[1-[(4-Chlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)methanone
CID 67243164
[1-[(2,4-Dichlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)methanone
CID 67243165
[1-[(2,4-Dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanone
CID 67243253
[1-[(2,4-Dichlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)methanone
CID 67243291
[1-[(4-Chlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methanone
CID 67243302
[1-[(4-Chlorophenyl)methyl]-5-ethoxy-2-(trifluoromethyl)indol-3-yl]-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methanone
CID 67243397

Frequently Asked Questions

What is the IUPAC name of [1-[(2,4-dichlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methanone?
The IUPAC name of [1-[(2,4-dichlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methanone (CID 67243000) is [1-[(2,4-dichlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methanone.
What is the SMILES notation for [1-[(2,4-dichlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methanone?
The canonical SMILES for [1-[(2,4-dichlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methanone is O=C(c1nc(-c2cccnc2)no1)c1c(C(F)(F)F)n(Cc2ccc(Cl)cc2Cl)c2ccc(O)cc12.
What is the InChIKey of [1-[(2,4-dichlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methanone?
The InChIKey is QFKCMJXBNINAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13Cl2F3N4O3/c25-14-4-3-13(17(26)8-14)11-33-18-6-5-15(34)9-16(18)19(21(33)24(27,28)29)20(35)23-31-22(32-36-23)12-2-1-7-30-10-12/h1-10,34H,11H2.
What are the key properties of [1-[(2,4-dichlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methanone?
[1-[(2,4-dichlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methanone has a molecular weight of 533.29 g/mol, XLogP of 6.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,4-dichlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methanone is sourced from PubChem (CID 67243000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).