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

C23H13Cl3N4O3 — CID 67245119

IUPAC[2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-hydroxyindol-3-yl]-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanone
SMILESO=C(c1nc(-c2ccccn2)no1)c1c(Cl)n(Cc2ccc(Cl)cc2Cl)c2ccc(O)cc12
InChIInChI=1S/C23H13Cl3N4O3/c24-13-5-4-12(16(25)9-13)11-30-18-7-6-14(31)10-15(18)19(21(30)26)20(32)23-28-22(29-33-23)17-3-1-2-8-27-17/h1-10,31H,11H2
InChIKeyKVGKYUBHGLZBEM-UHFFFAOYSA-N
MW499.74 g/mol
LogP6.03
Rot. Bonds5

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

[2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-hydroxyindol-3-yl]-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanone (PubChem CID 67245119) has the molecular formula C23H13Cl3N4O3 and a molecular weight of 499.74 g/mol. Its IUPAC name is [2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-hydroxyindol-3-yl]-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanone.

Molecular Properties

Compound Name[2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-hydroxyindol-3-yl]-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanone
PubChem CID67245119
Molecular FormulaC23H13Cl3N4O3
Molecular Weight499.74 g/mol
Exact Mass498.01
IUPAC Name[2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-hydroxyindol-3-yl]-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanone
SMILESO=C(c1nc(-c2ccccn2)no1)c1c(Cl)n(Cc2ccc(Cl)cc2Cl)c2ccc(O)cc12
InChIInChI=1S/C23H13Cl3N4O3/c24-13-5-4-12(16(25)9-13)11-30-18-7-6-14(31)10-15(18)19(21(30)26)20(32)23-28-22(29-33-23)17-3-1-2-8-27-17/h1-10,31H,11H2
InChIKeyKVGKYUBHGLZBEM-UHFFFAOYSA-N
XLogP6.03
TPSA94.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.74
LogP ≤ 56.03
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
[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
[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
[1-[(4-Chlorophenyl)methyl]-5-ethoxy-2-(trifluoromethyl)indol-3-yl]-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)methanone
CID 67243494

Frequently Asked Questions

What is the IUPAC name of [2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-hydroxyindol-3-yl]-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanone?
The IUPAC name of [2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-hydroxyindol-3-yl]-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanone (CID 67245119) is [2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-hydroxyindol-3-yl]-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanone.
What is the SMILES notation for [2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-hydroxyindol-3-yl]-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanone?
The canonical SMILES for [2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-hydroxyindol-3-yl]-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanone is O=C(c1nc(-c2ccccn2)no1)c1c(Cl)n(Cc2ccc(Cl)cc2Cl)c2ccc(O)cc12.
What is the InChIKey of [2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-hydroxyindol-3-yl]-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanone?
The InChIKey is KVGKYUBHGLZBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13Cl3N4O3/c24-13-5-4-12(16(25)9-13)11-30-18-7-6-14(31)10-15(18)19(21(30)26)20(32)23-28-22(29-33-23)17-3-1-2-8-27-17/h1-10,31H,11H2.
What are the key properties of [2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-hydroxyindol-3-yl]-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanone?
[2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-hydroxyindol-3-yl]-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanone has a molecular weight of 499.74 g/mol, XLogP of 6.03, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-hydroxyindol-3-yl]-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanone is sourced from PubChem (CID 67245119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).