3-methylpyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid

C7H6N2O3 — CID 95732990

IUPAC3-methylpyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid
SMILESCc1coc2cc(C(=O)O)nn12
InChIInChI=1S/C7H6N2O3/c1-4-3-12-6-2-5(7(10)11)8-9(4)6/h2-3H,1H3,(H,10,11)
InChIKeyHPHDFVAHJRWLEL-UHFFFAOYSA-N
MW166.14 g/mol
LogP0.93
Rot. Bonds1

About 3-methylpyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid

3-methylpyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid (PubChem CID 95732990) has the molecular formula C7H6N2O3 and a molecular weight of 166.14 g/mol. Its IUPAC name is 3-methylpyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid.

Molecular Properties

Compound Name3-methylpyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid
PubChem CID95732990
Molecular FormulaC7H6N2O3
Molecular Weight166.14 g/mol
Exact Mass166.04
IUPAC Name3-methylpyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid
SMILESCc1coc2cc(C(=O)O)nn12
InChIInChI=1S/C7H6N2O3/c1-4-3-12-6-2-5(7(10)11)8-9(4)6/h2-3H,1H3,(H,10,11)
InChIKeyHPHDFVAHJRWLEL-UHFFFAOYSA-N
XLogP0.93
TPSA67.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.14
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 22099274
1,5-dimethylpyrazole-3-carboxylic acid;iridium
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CID 776256
5-methyl-1-phenylpyrazole-3-carboxylic acid
CID 698388
1-(2,4-dibromophenyl)-5-methylpyrazole-3-carboxylic acid
CID 105421500
1-(2-bromo-4-methylphenyl)-5-methylpyrazole-3-carboxylic acid
CID 82094448
1-(4-methoxycarbonylphenyl)-5-methylpyrazole-3-carboxylic acid
CID 82361682
5-(cyclohexylmethyl)-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 167206058
1-(2,6-dimethylphenyl)-5-methylpyrazole-3-carboxylic acid
CID 82081789
1-(2,5-difluorophenyl)-5-methylpyrazole-3-carboxylic acid
CID 105421480
1-sulfanylpyrazole-3,5-dicarboxylic acid
CID 20573952
ethane;2-methyl-1,3-oxazole-4-carboxylic acid
CID 144678746

Frequently Asked Questions

What is the IUPAC name of 3-methylpyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid?
The IUPAC name of 3-methylpyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid (CID 95732990) is 3-methylpyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid.
What is the SMILES notation for 3-methylpyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid?
The canonical SMILES for 3-methylpyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid is Cc1coc2cc(C(=O)O)nn12.
What is the InChIKey of 3-methylpyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid?
The InChIKey is HPHDFVAHJRWLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O3/c1-4-3-12-6-2-5(7(10)11)8-9(4)6/h2-3H,1H3,(H,10,11).
What are the key properties of 3-methylpyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid?
3-methylpyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid has a molecular weight of 166.14 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid is sourced from PubChem (CID 95732990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).