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

C24H23N3O5 — CID 73332715

IUPAC1-[[3-(2-methoxyethoxy)phenyl]methyl]-5-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one
SMILESCOCCOc1cccc(Cn2cc(-c3noc(-c4ccc(OC)cc4)n3)ccc2=O)c1
InChIInChI=1S/C24H23N3O5/c1-29-12-13-31-21-5-3-4-17(14-21)15-27-16-19(8-11-22(27)28)23-25-24(32-26-23)18-6-9-20(30-2)10-7-18/h3-11,14,16H,12-13,15H2,1-2H3
InChIKeyALMUTYGKNFTJDU-UHFFFAOYSA-N
MW433.46 g/mol
LogP3.65
Rot. Bonds9

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

1-[[3-(2-methoxyethoxy)phenyl]methyl]-5-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one (PubChem CID 73332715) has the molecular formula C24H23N3O5 and a molecular weight of 433.46 g/mol. Its IUPAC name is 1-[[3-(2-methoxyethoxy)phenyl]methyl]-5-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one.

Molecular Properties

Compound Name1-[[3-(2-methoxyethoxy)phenyl]methyl]-5-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one
PubChem CID73332715
Molecular FormulaC24H23N3O5
Molecular Weight433.46 g/mol
Exact Mass433.16
IUPAC Name1-[[3-(2-methoxyethoxy)phenyl]methyl]-5-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one
SMILESCOCCOc1cccc(Cn2cc(-c3noc(-c4ccc(OC)cc4)n3)ccc2=O)c1
InChIInChI=1S/C24H23N3O5/c1-29-12-13-31-21-5-3-4-17(14-21)15-27-16-19(8-11-22(27)28)23-25-24(32-26-23)18-6-9-20(30-2)10-7-18/h3-11,14,16H,12-13,15H2,1-2H3
InChIKeyALMUTYGKNFTJDU-UHFFFAOYSA-N
XLogP3.65
TPSA88.61 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-[[3-(2-methoxyethoxy)phenyl]methyl]-5-[5-[4-(2-methoxyethylsulfonyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one
CID 73331081
1-[[3-(2-methoxyethoxy)phenyl]methyl]-5-[5-[4-(methylaminosulfanyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one
CID 144580615
5-[5-(1H-indol-5-yl)-1,2,4-oxadiazol-3-yl]-1-[[3-(2-methoxyethoxy)phenyl]methyl]pyridin-2-one
CID 73331369
1-[(3-prop-2-enoxyphenyl)methyl]-5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyridin-2-one
CID 86712188
N'-hydroxy-6-oxo-1-[(3-propoxyphenyl)methyl]pyridine-3-carboximidamide;1-[(3-propoxyphenyl)methyl]-5-[5-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one;4-[1-(trifluoromethyl)cyclopropyl]benzoic acid
CID 172916919
5-(4-methoxyphenyl)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-one
CID 69441988
S-[[3-[[2-oxo-5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1-pyridinyl]methyl]phenyl]methyl] ethanethioate
CID 86712176
1-[[3-(2-hydroxypropan-2-yl)phenyl]methyl]-5-[5-[4-(trifluoromethylsulfonyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one
CID 73331650
1-[(4-methylphenyl)methyl]-5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyridin-2-one
CID 86712164
5-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyridin-2-one
CID 69444298
N-(3,5-dimethoxyphenyl)-2-[5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide
CID 51366790
2-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-1-(4-methylpiperazin-1-yl)ethanone
CID 46266568

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2-methoxyethoxy)phenyl]methyl]-5-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one?
The IUPAC name of 1-[[3-(2-methoxyethoxy)phenyl]methyl]-5-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one (CID 73332715) is 1-[[3-(2-methoxyethoxy)phenyl]methyl]-5-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one.
What is the SMILES notation for 1-[[3-(2-methoxyethoxy)phenyl]methyl]-5-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one?
The canonical SMILES for 1-[[3-(2-methoxyethoxy)phenyl]methyl]-5-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one is COCCOc1cccc(Cn2cc(-c3noc(-c4ccc(OC)cc4)n3)ccc2=O)c1.
What is the InChIKey of 1-[[3-(2-methoxyethoxy)phenyl]methyl]-5-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one?
The InChIKey is ALMUTYGKNFTJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O5/c1-29-12-13-31-21-5-3-4-17(14-21)15-27-16-19(8-11-22(27)28)23-25-24(32-26-23)18-6-9-20(30-2)10-7-18/h3-11,14,16H,12-13,15H2,1-2H3.
What are the key properties of 1-[[3-(2-methoxyethoxy)phenyl]methyl]-5-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one?
1-[[3-(2-methoxyethoxy)phenyl]methyl]-5-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one has a molecular weight of 433.46 g/mol, XLogP of 3.65, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2-methoxyethoxy)phenyl]methyl]-5-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one is sourced from PubChem (CID 73332715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).