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

C24H13Cl2F3N4O2 — CID 67243253

IUPAC[1-[(2,4-dichlorophenyl)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)cc2Cl)c2ccccc12
InChIInChI=1S/C24H13Cl2F3N4O2/c25-14-9-8-13(16(26)11-14)12-33-18-7-2-1-5-15(18)19(21(33)24(27,28)29)20(34)23-31-22(32-35-23)17-6-3-4-10-30-17/h1-11H,12H2
InChIKeyJMEJDKFJTFDFBC-UHFFFAOYSA-N
MW517.29 g/mol
LogP6.69
Rot. Bonds5

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

[1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanone (PubChem CID 67243253) has the molecular formula C24H13Cl2F3N4O2 and a molecular weight of 517.29 g/mol. Its IUPAC name is [1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanone.

Molecular Properties

Compound Name[1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanone
PubChem CID67243253
Molecular FormulaC24H13Cl2F3N4O2
Molecular Weight517.29 g/mol
Exact Mass516.04
IUPAC Name[1-[(2,4-dichlorophenyl)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)cc2Cl)c2ccccc12
InChIInChI=1S/C24H13Cl2F3N4O2/c25-14-9-8-13(16(26)11-14)12-33-18-7-2-1-5-15(18)19(21(33)24(27,28)29)20(34)23-31-22(32-35-23)17-6-3-4-10-30-17/h1-11H,12H2
InChIKeyJMEJDKFJTFDFBC-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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Frequently Asked Questions

What is the IUPAC name of [1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanone?
The IUPAC name of [1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanone (CID 67243253) is [1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanone.
What is the SMILES notation for [1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanone?
The canonical SMILES for [1-[(2,4-dichlorophenyl)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)cc2Cl)c2ccccc12.
What is the InChIKey of [1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanone?
The InChIKey is JMEJDKFJTFDFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13Cl2F3N4O2/c25-14-9-8-13(16(26)11-14)12-33-18-7-2-1-5-15(18)19(21(33)24(27,28)29)20(34)23-31-22(32-35-23)17-6-3-4-10-30-17/h1-11H,12H2.
What are the key properties of [1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanone?
[1-[(2,4-dichlorophenyl)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 [1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanone is sourced from PubChem (CID 67243253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).