3-(1-methylindol-5-yl)-1,2,4-oxadiazole-5-carboxylic acid

C12H9N3O3 — CID 82378053

IUPAC3-(1-methylindol-5-yl)-1,2,4-oxadiazole-5-carboxylic acid
SMILESCn1ccc2cc(-c3noc(C(=O)O)n3)ccc21
InChIInChI=1S/C12H9N3O3/c1-15-5-4-7-6-8(2-3-9(7)15)10-13-11(12(16)17)18-14-10/h2-6H,1H3,(H,16,17)
InChIKeyMFFIEWCDSGAEJH-UHFFFAOYSA-N
MW243.22 g/mol
LogP1.93
Rot. Bonds2

About 3-(1-methylindol-5-yl)-1,2,4-oxadiazole-5-carboxylic acid

3-(1-methylindol-5-yl)-1,2,4-oxadiazole-5-carboxylic acid (PubChem CID 82378053) has the molecular formula C12H9N3O3 and a molecular weight of 243.22 g/mol. Its IUPAC name is 3-(1-methylindol-5-yl)-1,2,4-oxadiazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(1-methylindol-5-yl)-1,2,4-oxadiazole-5-carboxylic acid
PubChem CID82378053
Molecular FormulaC12H9N3O3
Molecular Weight243.22 g/mol
Exact Mass243.06
IUPAC Name3-(1-methylindol-5-yl)-1,2,4-oxadiazole-5-carboxylic acid
SMILESCn1ccc2cc(-c3noc(C(=O)O)n3)ccc21
InChIInChI=1S/C12H9N3O3/c1-15-5-4-7-6-8(2-3-9(7)15)10-13-11(12(16)17)18-14-10/h2-6H,1H3,(H,16,17)
InChIKeyMFFIEWCDSGAEJH-UHFFFAOYSA-N
XLogP1.93
TPSA81.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,4-dichlorophenyl)-1,2,4-oxadiazole-5-carboxylic acid
CID 83395279
3-(4-methoxyphenyl)-1,2,4-oxadiazole-5-carboxylic acid
CID 25249929
4-methoxy-3-(1-methylindol-5-yl)benzoic acid
CID 82039901
3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazole-5-carboxylic acid
CID 28806099
3-(3-fluorophenyl)-1,2,4-oxadiazole-5-carboxylic acid
CID 69195463
1-methyl-5-(1-methyl-1,2,4-triazol-3-yl)indole
CID 137376309
5-(5-methoxypyrimidin-2-yl)-1-methylindole
CID 137376147
1,4-dimethyl-5-(1-methylindol-5-yl)pyrrole-3-carboxylic acid
CID 69232965
3-(1-methylindol-5-yl)-5-[4-[(2R)-2-methylpiperidin-1-yl]-3-nitrophenyl]-1,2,4-oxadiazole
CID 124567731
3-(1-methylindol-5-yl)-5-[3-methyl-4-(2-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole
CID 58443332
5-(5-fluoro-1-methylindol-6-yl)-1,2-oxazole-3-carboxylic acid
CID 117404267
4-hydroxy-5-methoxy-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 71284617

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylindol-5-yl)-1,2,4-oxadiazole-5-carboxylic acid?
The IUPAC name of 3-(1-methylindol-5-yl)-1,2,4-oxadiazole-5-carboxylic acid (CID 82378053) is 3-(1-methylindol-5-yl)-1,2,4-oxadiazole-5-carboxylic acid.
What is the SMILES notation for 3-(1-methylindol-5-yl)-1,2,4-oxadiazole-5-carboxylic acid?
The canonical SMILES for 3-(1-methylindol-5-yl)-1,2,4-oxadiazole-5-carboxylic acid is Cn1ccc2cc(-c3noc(C(=O)O)n3)ccc21.
What is the InChIKey of 3-(1-methylindol-5-yl)-1,2,4-oxadiazole-5-carboxylic acid?
The InChIKey is MFFIEWCDSGAEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O3/c1-15-5-4-7-6-8(2-3-9(7)15)10-13-11(12(16)17)18-14-10/h2-6H,1H3,(H,16,17).
What are the key properties of 3-(1-methylindol-5-yl)-1,2,4-oxadiazole-5-carboxylic acid?
3-(1-methylindol-5-yl)-1,2,4-oxadiazole-5-carboxylic acid has a molecular weight of 243.22 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylindol-5-yl)-1,2,4-oxadiazole-5-carboxylic acid is sourced from PubChem (CID 82378053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).