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

C9H11N3O3 — CID 102725078

IUPAC5-methyl-3-(1-methylpyrazol-4-yl)-4H-1,2-oxazole-5-carboxylic acid
SMILESCn1cc(C2=NOC(C)(C(=O)O)C2)cn1
InChIInChI=1S/C9H11N3O3/c1-9(8(13)14)3-7(11-15-9)6-4-10-12(2)5-6/h4-5H,3H2,1-2H3,(H,13,14)
InChIKeySYEZZCQTLFWHRY-UHFFFAOYSA-N
MW209.21 g/mol
LogP0.39
Rot. Bonds2

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

5-methyl-3-(1-methylpyrazol-4-yl)-4H-1,2-oxazole-5-carboxylic acid (PubChem CID 102725078) has the molecular formula C9H11N3O3 and a molecular weight of 209.21 g/mol. Its IUPAC name is 5-methyl-3-(1-methylpyrazol-4-yl)-4H-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name5-methyl-3-(1-methylpyrazol-4-yl)-4H-1,2-oxazole-5-carboxylic acid
PubChem CID102725078
Molecular FormulaC9H11N3O3
Molecular Weight209.21 g/mol
Exact Mass209.08
IUPAC Name5-methyl-3-(1-methylpyrazol-4-yl)-4H-1,2-oxazole-5-carboxylic acid
SMILESCn1cc(C2=NOC(C)(C(=O)O)C2)cn1
InChIInChI=1S/C9H11N3O3/c1-9(8(13)14)3-7(11-15-9)6-4-10-12(2)5-6/h4-5H,3H2,1-2H3,(H,13,14)
InChIKeySYEZZCQTLFWHRY-UHFFFAOYSA-N
XLogP0.39
TPSA76.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(1-methylpyrazol-4-yl)-4H-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 5-methyl-3-(1-methylpyrazol-4-yl)-4H-1,2-oxazole-5-carboxylic acid (CID 102725078) is 5-methyl-3-(1-methylpyrazol-4-yl)-4H-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 5-methyl-3-(1-methylpyrazol-4-yl)-4H-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 5-methyl-3-(1-methylpyrazol-4-yl)-4H-1,2-oxazole-5-carboxylic acid is Cn1cc(C2=NOC(C)(C(=O)O)C2)cn1.
What is the InChIKey of 5-methyl-3-(1-methylpyrazol-4-yl)-4H-1,2-oxazole-5-carboxylic acid?
The InChIKey is SYEZZCQTLFWHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c1-9(8(13)14)3-7(11-15-9)6-4-10-12(2)5-6/h4-5H,3H2,1-2H3,(H,13,14).
What are the key properties of 5-methyl-3-(1-methylpyrazol-4-yl)-4H-1,2-oxazole-5-carboxylic acid?
5-methyl-3-(1-methylpyrazol-4-yl)-4H-1,2-oxazole-5-carboxylic acid has a molecular weight of 209.21 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(1-methylpyrazol-4-yl)-4H-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 102725078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).