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

C16H13N3O2 — CID 59047159

IUPAC1-[3-methyl-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]ethanone
SMILESCC(=O)c1cc(C)cc(-c2nc(-c3ccccn3)no2)c1
InChIInChI=1S/C16H13N3O2/c1-10-7-12(11(2)20)9-13(8-10)16-18-15(19-21-16)14-5-3-4-6-17-14/h3-9H,1-2H3
InChIKeySXAASPSLRLFKIM-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.31
Rot. Bonds3

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

1-[3-methyl-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]ethanone (PubChem CID 59047159) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 1-[3-methyl-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-methyl-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]ethanone
PubChem CID59047159
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name1-[3-methyl-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]ethanone
SMILESCC(=O)c1cc(C)cc(-c2nc(-c3ccccn3)no2)c1
InChIInChI=1S/C16H13N3O2/c1-10-7-12(11(2)20)9-13(8-10)16-18-15(19-21-16)14-5-3-4-6-17-14/h3-9H,1-2H3
InChIKeySXAASPSLRLFKIM-UHFFFAOYSA-N
XLogP3.31
TPSA68.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-bromo-5-methylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 142165311
5-(4-phenylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 838877
3-methyl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 30329065
N-methyl-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)aniline
CID 104698802
5-(4-ethylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 5346667
5-(4-nitrophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 867097
5-(2-ethyl-5-methylpyrazol-3-yl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 71689313
ethane;3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile
CID 91230916
5-(2-bromophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 750612
5-(3,5-dimethylphenyl)-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole
CID 11242644
5-(6-chloro-3-pyridinyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 30028861
4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile
CID 103655221

Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]ethanone?
The IUPAC name of 1-[3-methyl-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]ethanone (CID 59047159) is 1-[3-methyl-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]ethanone.
What is the SMILES notation for 1-[3-methyl-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]ethanone?
The canonical SMILES for 1-[3-methyl-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]ethanone is CC(=O)c1cc(C)cc(-c2nc(-c3ccccn3)no2)c1.
What is the InChIKey of 1-[3-methyl-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]ethanone?
The InChIKey is SXAASPSLRLFKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-10-7-12(11(2)20)9-13(8-10)16-18-15(19-21-16)14-5-3-4-6-17-14/h3-9H,1-2H3.
What are the key properties of 1-[3-methyl-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]ethanone?
1-[3-methyl-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]ethanone has a molecular weight of 279.30 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]ethanone is sourced from PubChem (CID 59047159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).