5-[5-(1H-indol-5-yl)-1,2,4-oxadiazol-3-yl]-1-[[3-(2-methoxyethoxy)phenyl]methyl]pyridin-2-one

C25H22N4O4 — CID 73331369

IUPAC5-[5-(1H-indol-5-yl)-1,2,4-oxadiazol-3-yl]-1-[[3-(2-methoxyethoxy)phenyl]methyl]pyridin-2-one
SMILESCOCCOc1cccc(Cn2cc(-c3noc(-c4ccc5[nH]ccc5c4)n3)ccc2=O)c1
InChIInChI=1S/C25H22N4O4/c1-31-11-12-32-21-4-2-3-17(13-21)15-29-16-20(6-8-23(29)30)24-27-25(33-28-24)19-5-7-22-18(14-19)9-10-26-22/h2-10,13-14,16,26H,11-12,15H2,1H3
InChIKeySFPLWQACYFZNBD-UHFFFAOYSA-N
MW442.48 g/mol
LogP4.12
Rot. Bonds8

About 5-[5-(1H-indol-5-yl)-1,2,4-oxadiazol-3-yl]-1-[[3-(2-methoxyethoxy)phenyl]methyl]pyridin-2-one

5-[5-(1H-indol-5-yl)-1,2,4-oxadiazol-3-yl]-1-[[3-(2-methoxyethoxy)phenyl]methyl]pyridin-2-one (PubChem CID 73331369) has the molecular formula C25H22N4O4 and a molecular weight of 442.48 g/mol. Its IUPAC name is 5-[5-(1H-indol-5-yl)-1,2,4-oxadiazol-3-yl]-1-[[3-(2-methoxyethoxy)phenyl]methyl]pyridin-2-one.

Molecular Properties

Compound Name5-[5-(1H-indol-5-yl)-1,2,4-oxadiazol-3-yl]-1-[[3-(2-methoxyethoxy)phenyl]methyl]pyridin-2-one
PubChem CID73331369
Molecular FormulaC25H22N4O4
Molecular Weight442.48 g/mol
Exact Mass442.16
IUPAC Name5-[5-(1H-indol-5-yl)-1,2,4-oxadiazol-3-yl]-1-[[3-(2-methoxyethoxy)phenyl]methyl]pyridin-2-one
SMILESCOCCOc1cccc(Cn2cc(-c3noc(-c4ccc5[nH]ccc5c4)n3)ccc2=O)c1
InChIInChI=1S/C25H22N4O4/c1-31-11-12-32-21-4-2-3-17(13-21)15-29-16-20(6-8-23(29)30)24-27-25(33-28-24)19-5-7-22-18(14-19)9-10-26-22/h2-10,13-14,16,26H,11-12,15H2,1H3
InChIKeySFPLWQACYFZNBD-UHFFFAOYSA-N
XLogP4.12
TPSA95.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(1H-indol-5-yl)-1,2,4-oxadiazol-3-yl]-1-[[3-(2-methoxyethoxy)phenyl]methyl]pyridin-2-one?
The IUPAC name of 5-[5-(1H-indol-5-yl)-1,2,4-oxadiazol-3-yl]-1-[[3-(2-methoxyethoxy)phenyl]methyl]pyridin-2-one (CID 73331369) is 5-[5-(1H-indol-5-yl)-1,2,4-oxadiazol-3-yl]-1-[[3-(2-methoxyethoxy)phenyl]methyl]pyridin-2-one.
What is the SMILES notation for 5-[5-(1H-indol-5-yl)-1,2,4-oxadiazol-3-yl]-1-[[3-(2-methoxyethoxy)phenyl]methyl]pyridin-2-one?
The canonical SMILES for 5-[5-(1H-indol-5-yl)-1,2,4-oxadiazol-3-yl]-1-[[3-(2-methoxyethoxy)phenyl]methyl]pyridin-2-one is COCCOc1cccc(Cn2cc(-c3noc(-c4ccc5[nH]ccc5c4)n3)ccc2=O)c1.
What is the InChIKey of 5-[5-(1H-indol-5-yl)-1,2,4-oxadiazol-3-yl]-1-[[3-(2-methoxyethoxy)phenyl]methyl]pyridin-2-one?
The InChIKey is SFPLWQACYFZNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O4/c1-31-11-12-32-21-4-2-3-17(13-21)15-29-16-20(6-8-23(29)30)24-27-25(33-28-24)19-5-7-22-18(14-19)9-10-26-22/h2-10,13-14,16,26H,11-12,15H2,1H3.
What are the key properties of 5-[5-(1H-indol-5-yl)-1,2,4-oxadiazol-3-yl]-1-[[3-(2-methoxyethoxy)phenyl]methyl]pyridin-2-one?
5-[5-(1H-indol-5-yl)-1,2,4-oxadiazol-3-yl]-1-[[3-(2-methoxyethoxy)phenyl]methyl]pyridin-2-one has a molecular weight of 442.48 g/mol, XLogP of 4.12, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(1H-indol-5-yl)-1,2,4-oxadiazol-3-yl]-1-[[3-(2-methoxyethoxy)phenyl]methyl]pyridin-2-one is sourced from PubChem (CID 73331369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).