3-[3-(6-methyl-2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid

C11H11N3O4 — CID 136748589

IUPAC3-[3-(6-methyl-2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid
SMILESCc1ccc(-c2noc(CCC(=O)O)n2)c(=O)[nH]1
InChIInChI=1S/C11H11N3O4/c1-6-2-3-7(11(17)12-6)10-13-8(18-14-10)4-5-9(15)16/h2-3H,4-5H2,1H3,(H,12,17)(H,15,16)
InChIKeyMMFWZVQFVQAMDZ-UHFFFAOYSA-N
MW249.23 g/mol
LogP0.75
Rot. Bonds4

About 3-[3-(6-methyl-2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid

3-[3-(6-methyl-2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid (PubChem CID 136748589) has the molecular formula C11H11N3O4 and a molecular weight of 249.23 g/mol. Its IUPAC name is 3-[3-(6-methyl-2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[3-(6-methyl-2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid
PubChem CID136748589
Molecular FormulaC11H11N3O4
Molecular Weight249.23 g/mol
Exact Mass249.07
IUPAC Name3-[3-(6-methyl-2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid
SMILESCc1ccc(-c2noc(CCC(=O)O)n2)c(=O)[nH]1
InChIInChI=1S/C11H11N3O4/c1-6-2-3-7(11(17)12-6)10-13-8(18-14-10)4-5-9(15)16/h2-3H,4-5H2,1H3,(H,12,17)(H,15,16)
InChIKeyMMFWZVQFVQAMDZ-UHFFFAOYSA-N
XLogP0.75
TPSA109.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 103083488
3-[3-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 135907614
4-[3-(8-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]butanoic acid
CID 135907619
3-[3-(1-methylpyridin-1-ium-4-yl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 3273122
3-[3-(2,3-dichlorophenyl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 17122277
3-[3-(2,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 16779409
3-[3-[3-[5-(2-carboxyethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazol-5-yl]propanoic acid
CID 102054948
3-[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 17376509
5-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pentanoic acid
CID 107915268
3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 16779155
4-[3-[6-methyl-1-(2-methylpropyl)-2-oxo-3-pyridinyl]-1,2,4-oxadiazol-5-yl]butanoic acid
CID 97058140
3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 3159643

Frequently Asked Questions

What is the IUPAC name of 3-[3-(6-methyl-2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid?
The IUPAC name of 3-[3-(6-methyl-2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid (CID 136748589) is 3-[3-(6-methyl-2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid.
What is the SMILES notation for 3-[3-(6-methyl-2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid?
The canonical SMILES for 3-[3-(6-methyl-2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid is Cc1ccc(-c2noc(CCC(=O)O)n2)c(=O)[nH]1.
What is the InChIKey of 3-[3-(6-methyl-2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid?
The InChIKey is MMFWZVQFVQAMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4/c1-6-2-3-7(11(17)12-6)10-13-8(18-14-10)4-5-9(15)16/h2-3H,4-5H2,1H3,(H,12,17)(H,15,16).
What are the key properties of 3-[3-(6-methyl-2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid?
3-[3-(6-methyl-2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid has a molecular weight of 249.23 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(6-methyl-2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid is sourced from PubChem (CID 136748589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).