5-(1,5-dimethylpyrazol-3-yl)-1,3-oxazole-4-carboxylic acid

C9H9N3O3 — CID 130485647

IUPAC5-(1,5-dimethylpyrazol-3-yl)-1,3-oxazole-4-carboxylic acid
SMILESCc1cc(-c2ocnc2C(=O)O)nn1C
InChIInChI=1S/C9H9N3O3/c1-5-3-6(11-12(5)2)8-7(9(13)14)10-4-15-8/h3-4H,1-2H3,(H,13,14)
InChIKeyHYBJUVGYGQWNKP-UHFFFAOYSA-N
MW207.19 g/mol
LogP1.08
Rot. Bonds2

About 5-(1,5-dimethylpyrazol-3-yl)-1,3-oxazole-4-carboxylic acid

5-(1,5-dimethylpyrazol-3-yl)-1,3-oxazole-4-carboxylic acid (PubChem CID 130485647) has the molecular formula C9H9N3O3 and a molecular weight of 207.19 g/mol. Its IUPAC name is 5-(1,5-dimethylpyrazol-3-yl)-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(1,5-dimethylpyrazol-3-yl)-1,3-oxazole-4-carboxylic acid
PubChem CID130485647
Molecular FormulaC9H9N3O3
Molecular Weight207.19 g/mol
Exact Mass207.06
IUPAC Name5-(1,5-dimethylpyrazol-3-yl)-1,3-oxazole-4-carboxylic acid
SMILESCc1cc(-c2ocnc2C(=O)O)nn1C
InChIInChI=1S/C9H9N3O3/c1-5-3-6(11-12(5)2)8-7(9(13)14)10-4-15-8/h3-4H,1-2H3,(H,13,14)
InChIKeyHYBJUVGYGQWNKP-UHFFFAOYSA-N
XLogP1.08
TPSA81.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1,3-dimethylpyrazol-4-yl)-1,3-oxazole-4-carboxylic acid
CID 102802256
5-(2-ethyl-5-methylpyrazol-3-yl)-1,3-oxazole-4-carboxylic acid
CID 66120095
CID 66929366
CID 66929366
5-(4-bromothiophen-2-yl)-1,3-oxazole-4-carboxylic acid
CID 83558038
1,5-dimethylpyrazole-3-carboxylic acid;iridium
CID 59657074
ethyl 5-(1-methylpyrazol-3-yl)-1,3-oxazole-4-carboxylate
CID 10846618
(1,5-dimethylpyrazol-3-yl)-morpholin-4-ylmethanone
CID 11344828
5-[3-(hydroxymethyl)phenyl]-1,3-oxazole-4-carboxylic acid
CID 66928357
5-pyridin-3-yl-1,3-oxazole-4-carboxylic acid
CID 28875589
oxalic acid;1,3-oxazole-4,5-dicarboxylic acid
CID 175333837
1,5-dimethylpyrazole-3,4-dicarboxylic acid
CID 10559376
5-(3-propoxyphenyl)-1,3-oxazole-4-carboxylic acid
CID 62919017

Frequently Asked Questions

What is the IUPAC name of 5-(1,5-dimethylpyrazol-3-yl)-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 5-(1,5-dimethylpyrazol-3-yl)-1,3-oxazole-4-carboxylic acid (CID 130485647) is 5-(1,5-dimethylpyrazol-3-yl)-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-(1,5-dimethylpyrazol-3-yl)-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 5-(1,5-dimethylpyrazol-3-yl)-1,3-oxazole-4-carboxylic acid is Cc1cc(-c2ocnc2C(=O)O)nn1C.
What is the InChIKey of 5-(1,5-dimethylpyrazol-3-yl)-1,3-oxazole-4-carboxylic acid?
The InChIKey is HYBJUVGYGQWNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3/c1-5-3-6(11-12(5)2)8-7(9(13)14)10-4-15-8/h3-4H,1-2H3,(H,13,14).
What are the key properties of 5-(1,5-dimethylpyrazol-3-yl)-1,3-oxazole-4-carboxylic acid?
5-(1,5-dimethylpyrazol-3-yl)-1,3-oxazole-4-carboxylic acid has a molecular weight of 207.19 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,5-dimethylpyrazol-3-yl)-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 130485647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).