[3-(5-chloro-1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]-(5-methoxy-1-methylindol-3-yl)methanone

C22H17ClN4O3 — CID 155809390

IUPAC[3-(5-chloro-1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]-(5-methoxy-1-methylindol-3-yl)methanone
SMILESCOc1ccc2c(c1)c(C(=O)c1nc(-c3cn(C)c4ccc(Cl)cc34)no1)cn2C
InChIInChI=1S/C22H17ClN4O3/c1-26-10-16(15-9-13(29-3)5-7-19(15)26)20(28)22-24-21(25-30-22)17-11-27(2)18-6-4-12(23)8-14(17)18/h4-11H,1-3H3
InChIKeyFGXZOICZOYINQE-UHFFFAOYSA-N
MW420.86 g/mol
LogP4.61
Rot. Bonds4

About [3-(5-chloro-1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]-(5-methoxy-1-methylindol-3-yl)methanone

[3-(5-chloro-1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]-(5-methoxy-1-methylindol-3-yl)methanone (PubChem CID 155809390) has the molecular formula C22H17ClN4O3 and a molecular weight of 420.86 g/mol. Its IUPAC name is [3-(5-chloro-1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]-(5-methoxy-1-methylindol-3-yl)methanone.

Molecular Properties

Compound Name[3-(5-chloro-1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]-(5-methoxy-1-methylindol-3-yl)methanone
PubChem CID155809390
Molecular FormulaC22H17ClN4O3
Molecular Weight420.86 g/mol
Exact Mass420.10
IUPAC Name[3-(5-chloro-1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]-(5-methoxy-1-methylindol-3-yl)methanone
SMILESCOc1ccc2c(c1)c(C(=O)c1nc(-c3cn(C)c4ccc(Cl)cc34)no1)cn2C
InChIInChI=1S/C22H17ClN4O3/c1-26-10-16(15-9-13(29-3)5-7-19(15)26)20(28)22-24-21(25-30-22)17-11-27(2)18-6-4-12(23)8-14(17)18/h4-11H,1-3H3
InChIKeyFGXZOICZOYINQE-UHFFFAOYSA-N
XLogP4.61
TPSA75.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.86
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-(5-chloro-1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]-(5-methoxy-1-methylindol-3-yl)methanone?
The IUPAC name of [3-(5-chloro-1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]-(5-methoxy-1-methylindol-3-yl)methanone (CID 155809390) is [3-(5-chloro-1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]-(5-methoxy-1-methylindol-3-yl)methanone.
What is the SMILES notation for [3-(5-chloro-1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]-(5-methoxy-1-methylindol-3-yl)methanone?
The canonical SMILES for [3-(5-chloro-1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]-(5-methoxy-1-methylindol-3-yl)methanone is COc1ccc2c(c1)c(C(=O)c1nc(-c3cn(C)c4ccc(Cl)cc34)no1)cn2C.
What is the InChIKey of [3-(5-chloro-1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]-(5-methoxy-1-methylindol-3-yl)methanone?
The InChIKey is FGXZOICZOYINQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4O3/c1-26-10-16(15-9-13(29-3)5-7-19(15)26)20(28)22-24-21(25-30-22)17-11-27(2)18-6-4-12(23)8-14(17)18/h4-11H,1-3H3.
What are the key properties of [3-(5-chloro-1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]-(5-methoxy-1-methylindol-3-yl)methanone?
[3-(5-chloro-1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]-(5-methoxy-1-methylindol-3-yl)methanone has a molecular weight of 420.86 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-chloro-1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]-(5-methoxy-1-methylindol-3-yl)methanone is sourced from PubChem (CID 155809390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).