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

C9H9N3O3 — CID 102802256

IUPAC5-(1,3-dimethylpyrazol-4-yl)-1,3-oxazole-4-carboxylic acid
SMILESCc1nn(C)cc1-c1ocnc1C(=O)O
InChIInChI=1S/C9H9N3O3/c1-5-6(3-12(2)11-5)8-7(9(13)14)10-4-15-8/h3-4H,1-2H3,(H,13,14)
InChIKeyRRJGXQVAZCMFHH-UHFFFAOYSA-N
MW207.19 g/mol
LogP1.08
Rot. Bonds2

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

5-(1,3-dimethylpyrazol-4-yl)-1,3-oxazole-4-carboxylic acid (PubChem CID 102802256) has the molecular formula C9H9N3O3 and a molecular weight of 207.19 g/mol. Its IUPAC name is 5-(1,3-dimethylpyrazol-4-yl)-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(1,3-dimethylpyrazol-4-yl)-1,3-oxazole-4-carboxylic acid
PubChem CID102802256
Molecular FormulaC9H9N3O3
Molecular Weight207.19 g/mol
Exact Mass207.06
IUPAC Name5-(1,3-dimethylpyrazol-4-yl)-1,3-oxazole-4-carboxylic acid
SMILESCc1nn(C)cc1-c1ocnc1C(=O)O
InChIInChI=1S/C9H9N3O3/c1-5-6(3-12(2)11-5)8-7(9(13)14)10-4-15-8/h3-4H,1-2H3,(H,13,14)
InChIKeyRRJGXQVAZCMFHH-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-(1,5-dimethylpyrazol-3-yl)-1,3-oxazole-4-carboxylic acid
CID 130485647
5-(2-ethyl-5-methylpyrazol-3-yl)-1,3-oxazole-4-carboxylic acid
CID 66120095
1-methyl-4-(5-methylpyrimidin-2-yl)pyrazole-3-carboxylic acid
CID 130298551
1-methyl-4-pyrimidin-2-ylpyrazole-3-carboxylic acid
CID 130298603
1,3-dimethylpyrazole-4-carboxylic acid;ethane
CID 142969611
5-(2,3-dichlorophenyl)-1,3-oxazole-4-carboxylic acid
CID 26370041
CID 66929366
CID 66929366
1-methyl-4-(5-methyl-2-pyridinyl)pyrazole-3-carboxylic acid
CID 130298592
3-(1,3-dimethylpyrazol-4-yl)-5-ethyl-1,2-oxazole-4-carboxylic acid
CID 83094155
3-(1,3-dimethylpyrazol-4-yl)-1-pyrimidin-2-ylpyrazole-4-carboxylic acid
CID 65197494
3-[5-(1,3-dimethylpyrazol-4-yl)-1,3-oxazol-2-yl]propanoic acid
CID 65196994
4-(5-fluoropyrimidin-2-yl)-1-methylpyrazole-3-carboxylic acid
CID 127255845

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dimethylpyrazol-4-yl)-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 5-(1,3-dimethylpyrazol-4-yl)-1,3-oxazole-4-carboxylic acid (CID 102802256) is 5-(1,3-dimethylpyrazol-4-yl)-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-(1,3-dimethylpyrazol-4-yl)-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 5-(1,3-dimethylpyrazol-4-yl)-1,3-oxazole-4-carboxylic acid is Cc1nn(C)cc1-c1ocnc1C(=O)O.
What is the InChIKey of 5-(1,3-dimethylpyrazol-4-yl)-1,3-oxazole-4-carboxylic acid?
The InChIKey is RRJGXQVAZCMFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3/c1-5-6(3-12(2)11-5)8-7(9(13)14)10-4-15-8/h3-4H,1-2H3,(H,13,14).
What are the key properties of 5-(1,3-dimethylpyrazol-4-yl)-1,3-oxazole-4-carboxylic acid?
5-(1,3-dimethylpyrazol-4-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-(1,3-dimethylpyrazol-4-yl)-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 102802256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).