3-(1,5-dimethylpyrazol-4-yl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid

C10H13N3O3 — CID 102725027

IUPAC3-(1,5-dimethylpyrazol-4-yl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid
SMILESCc1c(C2=NOC(C)(C(=O)O)C2)cnn1C
InChIInChI=1S/C10H13N3O3/c1-6-7(5-11-13(6)3)8-4-10(2,9(14)15)16-12-8/h5H,4H2,1-3H3,(H,14,15)
InChIKeyTYBAWFOYURICLY-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.70
Rot. Bonds2

About 3-(1,5-dimethylpyrazol-4-yl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid

3-(1,5-dimethylpyrazol-4-yl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid (PubChem CID 102725027) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 3-(1,5-dimethylpyrazol-4-yl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(1,5-dimethylpyrazol-4-yl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid
PubChem CID102725027
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name3-(1,5-dimethylpyrazol-4-yl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid
SMILESCc1c(C2=NOC(C)(C(=O)O)C2)cnn1C
InChIInChI=1S/C10H13N3O3/c1-6-7(5-11-13(6)3)8-4-10(2,9(14)15)16-12-8/h5H,4H2,1-3H3,(H,14,15)
InChIKeyTYBAWFOYURICLY-UHFFFAOYSA-N
XLogP0.70
TPSA76.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1,5-dimethylpyrazol-4-yl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(1,5-dimethylpyrazol-4-yl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid (CID 102725027) is 3-(1,5-dimethylpyrazol-4-yl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(1,5-dimethylpyrazol-4-yl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(1,5-dimethylpyrazol-4-yl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid is Cc1c(C2=NOC(C)(C(=O)O)C2)cnn1C.
What is the InChIKey of 3-(1,5-dimethylpyrazol-4-yl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid?
The InChIKey is TYBAWFOYURICLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-6-7(5-11-13(6)3)8-4-10(2,9(14)15)16-12-8/h5H,4H2,1-3H3,(H,14,15).
What are the key properties of 3-(1,5-dimethylpyrazol-4-yl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid?
3-(1,5-dimethylpyrazol-4-yl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid has a molecular weight of 223.23 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,5-dimethylpyrazol-4-yl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 102725027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).