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

C11H13N3O3 — CID 83094155

IUPAC3-(1,3-dimethylpyrazol-4-yl)-5-ethyl-1,2-oxazole-4-carboxylic acid
SMILESCCc1onc(-c2cn(C)nc2C)c1C(=O)O
InChIInChI=1S/C11H13N3O3/c1-4-8-9(11(15)16)10(13-17-8)7-5-14(3)12-6(7)2/h5H,4H2,1-3H3,(H,15,16)
InChIKeyNIISNYYSKJYEBN-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.64
Rot. Bonds3

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

3-(1,3-dimethylpyrazol-4-yl)-5-ethyl-1,2-oxazole-4-carboxylic acid (PubChem CID 83094155) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 3-(1,3-dimethylpyrazol-4-yl)-5-ethyl-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(1,3-dimethylpyrazol-4-yl)-5-ethyl-1,2-oxazole-4-carboxylic acid
PubChem CID83094155
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name3-(1,3-dimethylpyrazol-4-yl)-5-ethyl-1,2-oxazole-4-carboxylic acid
SMILESCCc1onc(-c2cn(C)nc2C)c1C(=O)O
InChIInChI=1S/C11H13N3O3/c1-4-8-9(11(15)16)10(13-17-8)7-5-14(3)12-6(7)2/h5H,4H2,1-3H3,(H,15,16)
InChIKeyNIISNYYSKJYEBN-UHFFFAOYSA-N
XLogP1.64
TPSA81.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dimethylpyrazol-4-yl)-5-ethyl-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 3-(1,3-dimethylpyrazol-4-yl)-5-ethyl-1,2-oxazole-4-carboxylic acid (CID 83094155) is 3-(1,3-dimethylpyrazol-4-yl)-5-ethyl-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 3-(1,3-dimethylpyrazol-4-yl)-5-ethyl-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 3-(1,3-dimethylpyrazol-4-yl)-5-ethyl-1,2-oxazole-4-carboxylic acid is CCc1onc(-c2cn(C)nc2C)c1C(=O)O.
What is the InChIKey of 3-(1,3-dimethylpyrazol-4-yl)-5-ethyl-1,2-oxazole-4-carboxylic acid?
The InChIKey is NIISNYYSKJYEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-4-8-9(11(15)16)10(13-17-8)7-5-14(3)12-6(7)2/h5H,4H2,1-3H3,(H,15,16).
What are the key properties of 3-(1,3-dimethylpyrazol-4-yl)-5-ethyl-1,2-oxazole-4-carboxylic acid?
3-(1,3-dimethylpyrazol-4-yl)-5-ethyl-1,2-oxazole-4-carboxylic acid has a molecular weight of 235.24 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dimethylpyrazol-4-yl)-5-ethyl-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 83094155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).