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

C10H11N3O3 — CID 66128650

IUPAC2-(2,5-dimethylpyrazol-3-yl)-5-methyl-1,3-oxazole-4-carboxylic acid
SMILESCc1cc(-c2nc(C(=O)O)c(C)o2)n(C)n1
InChIInChI=1S/C10H11N3O3/c1-5-4-7(13(3)12-5)9-11-8(10(14)15)6(2)16-9/h4H,1-3H3,(H,14,15)
InChIKeyIXRKEUPAPHZZIH-UHFFFAOYSA-N
MW221.22 g/mol
LogP1.39
Rot. Bonds2

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

2-(2,5-dimethylpyrazol-3-yl)-5-methyl-1,3-oxazole-4-carboxylic acid (PubChem CID 66128650) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrazol-3-yl)-5-methyl-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2,5-dimethylpyrazol-3-yl)-5-methyl-1,3-oxazole-4-carboxylic acid
PubChem CID66128650
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name2-(2,5-dimethylpyrazol-3-yl)-5-methyl-1,3-oxazole-4-carboxylic acid
SMILESCc1cc(-c2nc(C(=O)O)c(C)o2)n(C)n1
InChIInChI=1S/C10H11N3O3/c1-5-4-7(13(3)12-5)9-11-8(10(14)15)6(2)16-9/h4H,1-3H3,(H,14,15)
InChIKeyIXRKEUPAPHZZIH-UHFFFAOYSA-N
XLogP1.39
TPSA81.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-5-methyl-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-5-methyl-1,3-oxazole-4-carboxylic acid (CID 66128650) is 2-(2,5-dimethylpyrazol-3-yl)-5-methyl-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-(2,5-dimethylpyrazol-3-yl)-5-methyl-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-(2,5-dimethylpyrazol-3-yl)-5-methyl-1,3-oxazole-4-carboxylic acid is Cc1cc(-c2nc(C(=O)O)c(C)o2)n(C)n1.
What is the InChIKey of 2-(2,5-dimethylpyrazol-3-yl)-5-methyl-1,3-oxazole-4-carboxylic acid?
The InChIKey is IXRKEUPAPHZZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c1-5-4-7(13(3)12-5)9-11-8(10(14)15)6(2)16-9/h4H,1-3H3,(H,14,15).
What are the key properties of 2-(2,5-dimethylpyrazol-3-yl)-5-methyl-1,3-oxazole-4-carboxylic acid?
2-(2,5-dimethylpyrazol-3-yl)-5-methyl-1,3-oxazole-4-carboxylic acid has a molecular weight of 221.22 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrazol-3-yl)-5-methyl-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 66128650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).