5-[5-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1-methylpyridin-2-one

C16H15N3O4 — CID 83274624

IUPAC5-[5-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1-methylpyridin-2-one
SMILESCOc1cccc(-c2nc(-c3ccc(=O)n(C)c3)no2)c1OC
InChIInChI=1S/C16H15N3O4/c1-19-9-10(7-8-13(19)20)15-17-16(23-18-15)11-5-4-6-12(21-2)14(11)22-3/h4-9H,1-3H3
InChIKeyUHOYJYDYCIYQLM-UHFFFAOYSA-N
MW313.31 g/mol
LogP2.12
Rot. Bonds4

About 5-[5-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1-methylpyridin-2-one

5-[5-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1-methylpyridin-2-one (PubChem CID 83274624) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is 5-[5-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[5-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1-methylpyridin-2-one
PubChem CID83274624
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Name5-[5-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1-methylpyridin-2-one
SMILESCOc1cccc(-c2nc(-c3ccc(=O)n(C)c3)no2)c1OC
InChIInChI=1S/C16H15N3O4/c1-19-9-10(7-8-13(19)20)15-17-16(23-18-15)11-5-4-6-12(21-2)14(11)22-3/h4-9H,1-3H3
InChIKeyUHOYJYDYCIYQLM-UHFFFAOYSA-N
XLogP2.12
TPSA79.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-methyl-5-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)pyridin-2-one
CID 53156543
5-[5-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-1-methylpyridin-2-one
CID 83274036
7-[5-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-4-propan-2-yl-1H-quinoxaline-2,3-dione
CID 53065487
5-[5-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-phenyl-1,3-benzoxazole
CID 53141190
5-cyclopentyl-2-[5-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]benzo[b][1,4]benzothiazepin-6-one
CID 53095586
6-[2-[5-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-4-methylpyrano[3,2-c]pyridine-2,5-dione
CID 134716989
4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 24747339
3-butyl-7-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-quinazoline-2,4-dione
CID 53061269
3-(2,3-dimethoxyphenyl)-5-[3-(4-propan-2-ylphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole
CID 53022147
5-(4-chloro-3-nitrophenyl)-3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazole
CID 23008260
5-(2-methoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 2243275
3-[[5-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylquinazolin-4-one
CID 53060174

Frequently Asked Questions

What is the IUPAC name of 5-[5-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1-methylpyridin-2-one?
The IUPAC name of 5-[5-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1-methylpyridin-2-one (CID 83274624) is 5-[5-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[5-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1-methylpyridin-2-one?
The canonical SMILES for 5-[5-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1-methylpyridin-2-one is COc1cccc(-c2nc(-c3ccc(=O)n(C)c3)no2)c1OC.
What is the InChIKey of 5-[5-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1-methylpyridin-2-one?
The InChIKey is UHOYJYDYCIYQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-19-9-10(7-8-13(19)20)15-17-16(23-18-15)11-5-4-6-12(21-2)14(11)22-3/h4-9H,1-3H3.
What are the key properties of 5-[5-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1-methylpyridin-2-one?
5-[5-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1-methylpyridin-2-one has a molecular weight of 313.31 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1-methylpyridin-2-one is sourced from PubChem (CID 83274624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).