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

C24H13Cl2F3N4O2 — CID 67244617

IUPAC[5-chloro-1-[(4-chlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)methanone
SMILESO=C(c1noc(-c2cccnc2)n1)c1c(C(F)(F)F)n(Cc2ccc(Cl)cc2)c2ccc(Cl)cc12
InChIInChI=1S/C24H13Cl2F3N4O2/c25-15-5-3-13(4-6-15)12-33-18-8-7-16(26)10-17(18)19(21(33)24(27,28)29)20(34)22-31-23(35-32-22)14-2-1-9-30-11-14/h1-11H,12H2
InChIKeyFFNBTYXKFDECLT-UHFFFAOYSA-N
MW517.29 g/mol
LogP6.69
Rot. Bonds5

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

[5-chloro-1-[(4-chlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)methanone (PubChem CID 67244617) 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]-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)methanone.

Molecular Properties

Compound Name[5-chloro-1-[(4-chlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)methanone
PubChem CID67244617
Molecular FormulaC24H13Cl2F3N4O2
Molecular Weight517.29 g/mol
Exact Mass516.04
IUPAC Name[5-chloro-1-[(4-chlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)methanone
SMILESO=C(c1noc(-c2cccnc2)n1)c1c(C(F)(F)F)n(Cc2ccc(Cl)cc2)c2ccc(Cl)cc12
InChIInChI=1S/C24H13Cl2F3N4O2/c25-15-5-3-13(4-6-15)12-33-18-8-7-16(26)10-17(18)19(21(33)24(27,28)29)20(34)22-31-23(35-32-22)14-2-1-9-30-11-14/h1-11H,12H2
InChIKeyFFNBTYXKFDECLT-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 [5-chloro-1-[(4-chlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)methanone?
The IUPAC name of [5-chloro-1-[(4-chlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)methanone (CID 67244617) is [5-chloro-1-[(4-chlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)methanone.
What is the SMILES notation for [5-chloro-1-[(4-chlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)methanone?
The canonical SMILES for [5-chloro-1-[(4-chlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)methanone is O=C(c1noc(-c2cccnc2)n1)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]-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)methanone?
The InChIKey is FFNBTYXKFDECLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13Cl2F3N4O2/c25-15-5-3-13(4-6-15)12-33-18-8-7-16(26)10-17(18)19(21(33)24(27,28)29)20(34)22-31-23(35-32-22)14-2-1-9-30-11-14/h1-11H,12H2.
What are the key properties of [5-chloro-1-[(4-chlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)methanone?
[5-chloro-1-[(4-chlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-3-yl-1,2,4-oxadiazol-3-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]-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)methanone is sourced from PubChem (CID 67244617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).