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

C11H11N3O3 — CID 20819051

IUPAC3-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]propanoic acid
SMILESCc1ccc(-c2nc(CCC(=O)O)no2)cn1
InChIInChI=1S/C11H11N3O3/c1-7-2-3-8(6-12-7)11-13-9(14-17-11)4-5-10(15)16/h2-3,6H,4-5H2,1H3,(H,15,16)
InChIKeyQTSOOEQABQZLMS-UHFFFAOYSA-N
MW233.23 g/mol
LogP1.46
Rot. Bonds4

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

3-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]propanoic acid (PubChem CID 20819051) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 3-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]propanoic acid
PubChem CID20819051
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name3-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]propanoic acid
SMILESCc1ccc(-c2nc(CCC(=O)O)no2)cn1
InChIInChI=1S/C11H11N3O3/c1-7-2-3-8(6-12-7)11-13-9(14-17-11)4-5-10(15)16/h2-3,6H,4-5H2,1H3,(H,15,16)
InChIKeyQTSOOEQABQZLMS-UHFFFAOYSA-N
XLogP1.46
TPSA89.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(6-methyl-3-pyridinyl)-1,2-oxazol-5-yl]ethanol
CID 104823802
5-(6-methyl-3-pyridinyl)-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole;2,2,2-trifluoroacetic acid
CID 154888025
[3-(6-methyl-3-pyridinyl)-1,2-oxazol-5-yl]methanol
CID 104823801
4-(3-ethyl-1,2,4-oxadiazol-5-yl)benzoic acid
CID 42553350
3-(6-methyl-1,2,4-triazin-3-yl)propanoic acid
CID 82413919
2-methyl-2-[methyl-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]propanoic acid
CID 62821769
2-methyl-5-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol
CID 175178675
3-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]propanoic acid
CID 43169532
3-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methylamino]propanoic acid
CID 43466307
1-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
CID 104634516
5-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 102926540
3-phenyl-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]propanamide
CID 91917678

Frequently Asked Questions

What is the IUPAC name of 3-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]propanoic acid?
The IUPAC name of 3-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]propanoic acid (CID 20819051) is 3-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]propanoic acid.
What is the SMILES notation for 3-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]propanoic acid?
The canonical SMILES for 3-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]propanoic acid is Cc1ccc(-c2nc(CCC(=O)O)no2)cn1.
What is the InChIKey of 3-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]propanoic acid?
The InChIKey is QTSOOEQABQZLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-7-2-3-8(6-12-7)11-13-9(14-17-11)4-5-10(15)16/h2-3,6H,4-5H2,1H3,(H,15,16).
What are the key properties of 3-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]propanoic acid?
3-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]propanoic acid has a molecular weight of 233.23 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]propanoic acid is sourced from PubChem (CID 20819051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).