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

C25H15Cl2F3N4O3 — CID 67243291

IUPAC[1-[(2,4-dichlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)methanone
SMILESCOc1ccc2c(c1)c(C(=O)c1noc(-c3ccncc3)n1)c(C(F)(F)F)n2Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C25H15Cl2F3N4O3/c1-36-16-4-5-19-17(11-16)20(21(35)23-32-24(37-33-23)13-6-8-31-9-7-13)22(25(28,29)30)34(19)12-14-2-3-15(26)10-18(14)27/h2-11H,12H2,1H3
InChIKeyLMFMYGKPSGVNHB-UHFFFAOYSA-N
MW547.32 g/mol
LogP6.70
Rot. Bonds6

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

[1-[(2,4-dichlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)methanone (PubChem CID 67243291) has the molecular formula C25H15Cl2F3N4O3 and a molecular weight of 547.32 g/mol. Its IUPAC name is [1-[(2,4-dichlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)methanone.

Molecular Properties

Compound Name[1-[(2,4-dichlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)methanone
PubChem CID67243291
Molecular FormulaC25H15Cl2F3N4O3
Molecular Weight547.32 g/mol
Exact Mass546.05
IUPAC Name[1-[(2,4-dichlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)methanone
SMILESCOc1ccc2c(c1)c(C(=O)c1noc(-c3ccncc3)n1)c(C(F)(F)F)n2Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C25H15Cl2F3N4O3/c1-36-16-4-5-19-17(11-16)20(21(35)23-32-24(37-33-23)13-6-8-31-9-7-13)22(25(28,29)30)34(19)12-14-2-3-15(26)10-18(14)27/h2-11H,12H2,1H3
InChIKeyLMFMYGKPSGVNHB-UHFFFAOYSA-N
XLogP6.70
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.32
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of [1-[(2,4-dichlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)methanone?
The IUPAC name of [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) is [1-[(2,4-dichlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)methanone.
What is the SMILES notation for [1-[(2,4-dichlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)methanone?
The canonical SMILES for [1-[(2,4-dichlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)methanone is COc1ccc2c(c1)c(C(=O)c1noc(-c3ccncc3)n1)c(C(F)(F)F)n2Cc1ccc(Cl)cc1Cl.
What is the InChIKey of [1-[(2,4-dichlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)methanone?
The InChIKey is LMFMYGKPSGVNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15Cl2F3N4O3/c1-36-16-4-5-19-17(11-16)20(21(35)23-32-24(37-33-23)13-6-8-31-9-7-13)22(25(28,29)30)34(19)12-14-2-3-15(26)10-18(14)27/h2-11H,12H2,1H3.
What are the key properties of [1-[(2,4-dichlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)methanone?
[1-[(2,4-dichlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)methanone has a molecular weight of 547.32 g/mol, XLogP of 6.70, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,4-dichlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)methanone is sourced from PubChem (CID 67243291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).