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

C24H13Cl2F3N4O2 — CID 90838043

IUPAC[5-chloro-1-[(4-chlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanone
SMILESO=C(c1nc(-c2ccccn2)no1)c1c(C(F)(F)F)n(Cc2ccc(Cl)cc2)c2ccc(Cl)cc12
InChIInChI=1S/C24H13Cl2F3N4O2/c25-14-6-4-13(5-7-14)12-33-18-9-8-15(26)11-16(18)19(21(33)24(27,28)29)20(34)23-31-22(32-35-23)17-3-1-2-10-30-17/h1-11H,12H2
InChIKeyIWTYDZHDLUEXKX-UHFFFAOYSA-N
MW517.29 g/mol
LogP6.69
Rot. Bonds5

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

[5-chloro-1-[(4-chlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanone (PubChem CID 90838043) has the molecular formula C24H13Cl2F3N4O2 and a molecular weight of 517.29 g/mol. Its IUPAC name is [5-chloro-1-[(4-chlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanone.

Molecular Properties

Compound Name[5-chloro-1-[(4-chlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanone
PubChem CID90838043
Molecular FormulaC24H13Cl2F3N4O2
Molecular Weight517.29 g/mol
Exact Mass516.04
IUPAC Name[5-chloro-1-[(4-chlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanone
SMILESO=C(c1nc(-c2ccccn2)no1)c1c(C(F)(F)F)n(Cc2ccc(Cl)cc2)c2ccc(Cl)cc12
InChIInChI=1S/C24H13Cl2F3N4O2/c25-14-6-4-13(5-7-14)12-33-18-9-8-15(26)11-16(18)19(21(33)24(27,28)29)20(34)23-31-22(32-35-23)17-3-1-2-10-30-17/h1-11H,12H2
InChIKeyIWTYDZHDLUEXKX-UHFFFAOYSA-N
XLogP6.69
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.29
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[(4-chlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanone
CID 91161999
[5-chloro-1-[(4-chlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)methanone
CID 91406041
[1-[(4-chlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)methanone
CID 67244453
[1-[(4-chlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methanone
CID 67243630
[2,5-dichloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)methanone
CID 67244935
[1-[(4-chlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methanone
CID 67244712
[1-[(4-chlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone
CID 67245410
[1-[(4-chlorophenyl)methyl]-5-ethoxy-2-(trifluoromethyl)indol-3-yl]-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methanone
CID 67243743
[2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-hydroxyindol-3-yl]-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanone
CID 67245119
[5-chloro-1-[(4-chlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)methanone
CID 67243763
[5-chloro-1-[(4-chlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methanone
CID 67244467
[5-chloro-1-[(4-chlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)methanone
CID 67244617

Frequently Asked Questions

What is the IUPAC name of [5-chloro-1-[(4-chlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanone?
The IUPAC name of [5-chloro-1-[(4-chlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanone (CID 90838043) is [5-chloro-1-[(4-chlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanone.
What is the SMILES notation for [5-chloro-1-[(4-chlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanone?
The canonical SMILES for [5-chloro-1-[(4-chlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanone is O=C(c1nc(-c2ccccn2)no1)c1c(C(F)(F)F)n(Cc2ccc(Cl)cc2)c2ccc(Cl)cc12.
What is the InChIKey of [5-chloro-1-[(4-chlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanone?
The InChIKey is IWTYDZHDLUEXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13Cl2F3N4O2/c25-14-6-4-13(5-7-14)12-33-18-9-8-15(26)11-16(18)19(21(33)24(27,28)29)20(34)23-31-22(32-35-23)17-3-1-2-10-30-17/h1-11H,12H2.
What are the key properties of [5-chloro-1-[(4-chlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanone?
[5-chloro-1-[(4-chlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanone has a molecular weight of 517.29 g/mol, XLogP of 6.69, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-1-[(4-chlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanone is sourced from PubChem (CID 90838043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).