5-(1-methylindazol-6-yl)-1,2-oxazole-3-carboxylic acid

C12H9N3O3 — CID 117359203

IUPAC5-(1-methylindazol-6-yl)-1,2-oxazole-3-carboxylic acid
SMILESCn1ncc2ccc(-c3cc(C(=O)O)no3)cc21
InChIInChI=1S/C12H9N3O3/c1-15-10-4-7(2-3-8(10)6-13-15)11-5-9(12(16)17)14-18-11/h2-6H,1H3,(H,16,17)
InChIKeyRAWXTPOARYAJLP-UHFFFAOYSA-N
MW243.22 g/mol
LogP1.93
Rot. Bonds2

About 5-(1-methylindazol-6-yl)-1,2-oxazole-3-carboxylic acid

5-(1-methylindazol-6-yl)-1,2-oxazole-3-carboxylic acid (PubChem CID 117359203) has the molecular formula C12H9N3O3 and a molecular weight of 243.22 g/mol. Its IUPAC name is 5-(1-methylindazol-6-yl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(1-methylindazol-6-yl)-1,2-oxazole-3-carboxylic acid
PubChem CID117359203
Molecular FormulaC12H9N3O3
Molecular Weight243.22 g/mol
Exact Mass243.06
IUPAC Name5-(1-methylindazol-6-yl)-1,2-oxazole-3-carboxylic acid
SMILESCn1ncc2ccc(-c3cc(C(=O)O)no3)cc21
InChIInChI=1S/C12H9N3O3/c1-15-10-4-7(2-3-8(10)6-13-15)11-5-9(12(16)17)14-18-11/h2-6H,1H3,(H,16,17)
InChIKeyRAWXTPOARYAJLP-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

[5-(1-methylindazol-6-yl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone
CID 146220500
5-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1,2-oxazole-3-carboxylic acid
CID 82500452
5-(1-benzofuran-6-yl)-1,2-oxazole-3-carboxylic acid
CID 117329817
5-(1,2-benzoxazol-5-yl)-1,2-oxazole-3-carboxylic acid
CID 117331927
5-[4-(4-methylpyrazol-1-yl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117426069
5-(4-chlorophenyl)-1,2-oxazole-3-carboxylic acid
CID 1133644
4-methyl-2-(1-methylindazol-6-yl)-1,3-thiazole
CID 166386367
4-hydroxy-5-methyl-6-(1-methylindazol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 71284595
5-(3-hydroxy-4-iodophenyl)-1,2-oxazole-3-carboxylic acid
CID 155392679
5-[4-(2-hydroxyethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 115111153
5-[3-(triazol-2-yl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117393454
5-[4-fluoro-3-(hydroxymethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117345950

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylindazol-6-yl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(1-methylindazol-6-yl)-1,2-oxazole-3-carboxylic acid (CID 117359203) is 5-(1-methylindazol-6-yl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(1-methylindazol-6-yl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(1-methylindazol-6-yl)-1,2-oxazole-3-carboxylic acid is Cn1ncc2ccc(-c3cc(C(=O)O)no3)cc21.
What is the InChIKey of 5-(1-methylindazol-6-yl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is RAWXTPOARYAJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O3/c1-15-10-4-7(2-3-8(10)6-13-15)11-5-9(12(16)17)14-18-11/h2-6H,1H3,(H,16,17).
What are the key properties of 5-(1-methylindazol-6-yl)-1,2-oxazole-3-carboxylic acid?
5-(1-methylindazol-6-yl)-1,2-oxazole-3-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 5-(1-methylindazol-6-yl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 117359203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).