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

C21H17N3O3 — CID 69441988

IUPAC5-(4-methoxyphenyl)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-one
SMILESCOc1ccc(-c2ccc(=O)n(Cc3noc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C21H17N3O3/c1-26-18-10-7-15(8-11-18)17-9-12-20(25)24(13-17)14-19-22-21(27-23-19)16-5-3-2-4-6-16/h2-13H,14H2,1H3
InChIKeyOTDWBHNVBZTVJW-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.62
Rot. Bonds5

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

5-(4-methoxyphenyl)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-one (PubChem CID 69441988) has the molecular formula C21H17N3O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-one.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-one
PubChem CID69441988
Molecular FormulaC21H17N3O3
Molecular Weight359.39 g/mol
Exact Mass359.13
IUPAC Name5-(4-methoxyphenyl)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-one
SMILESCOc1ccc(-c2ccc(=O)n(Cc3noc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C21H17N3O3/c1-26-18-10-7-15(8-11-18)17-9-12-20(25)24(13-17)14-19-22-21(27-23-19)16-5-3-2-4-6-16/h2-13H,14H2,1H3
InChIKeyOTDWBHNVBZTVJW-UHFFFAOYSA-N
XLogP3.62
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyridin-2-one
CID 69444298
3-[(4-methoxyphenoxy)methyl]-5-phenyl-1,2,4-oxadiazole
CID 42692255
N-(3-methoxyphenyl)-2-[4-[3-[(2-oxo-1-pyridinyl)methyl]-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 166201068
1-[[3-(2-methoxyethoxy)phenyl]methyl]-5-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one
CID 73332715
1-[4-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]propan-1-one
CID 42691863
3-(bromomethyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 130536091
ethane;3-ethyl-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 143067916
1-[[4-(hydroxymethyl)phenyl]methyl]-5-(4-methoxyphenyl)pyridin-2-one
CID 69349835
(3R)-1-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-ol
CID 111334093
3-(methoxymethyl)-5-phenyl-1,2,4-oxadiazole
CID 59009688
5-(4-methoxyphenyl)-3-(quinolin-2-ylsulfanylmethyl)-1,2,4-oxadiazole
CID 30777405
5-(4-methoxyphenyl)-1-(2-methylpropyl)pyridin-2-one
CID 69441985

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-one?
The IUPAC name of 5-(4-methoxyphenyl)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-one (CID 69441988) is 5-(4-methoxyphenyl)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-one.
What is the SMILES notation for 5-(4-methoxyphenyl)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-one?
The canonical SMILES for 5-(4-methoxyphenyl)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-one is COc1ccc(-c2ccc(=O)n(Cc3noc(-c4ccccc4)n3)c2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-one?
The InChIKey is OTDWBHNVBZTVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3/c1-26-18-10-7-15(8-11-18)17-9-12-20(25)24(13-17)14-19-22-21(27-23-19)16-5-3-2-4-6-16/h2-13H,14H2,1H3.
What are the key properties of 5-(4-methoxyphenyl)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-one?
5-(4-methoxyphenyl)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-one has a molecular weight of 359.39 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-one is sourced from PubChem (CID 69441988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).