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

C11H13N3O4 — CID 66128860

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-(2,5-dimethylpyrazol-3-yl)-5-ethoxy-1,3-oxazole-4-carboxylic acid
SMILESCCOc1oc(-c2cc(C)nn2C)nc1C(=O)O
InChIInChI=1S/C11H13N3O4/c1-4-17-11-8(10(15)16)12-9(18-11)7-5-6(2)13-14(7)3/h5H,4H2,1-3H3,(H,15,16)
InChIKeyAZWKZWYBSYTLJN-UHFFFAOYSA-N
MW251.24 g/mol
LogP1.48
Rot. Bonds4

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

2-(2,5-dimethylpyrazol-3-yl)-5-ethoxy-1,3-oxazole-4-carboxylic acid (PubChem CID 66128860) has the molecular formula C11H13N3O4 and a molecular weight of 251.24 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrazol-3-yl)-5-ethoxy-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2,5-dimethylpyrazol-3-yl)-5-ethoxy-1,3-oxazole-4-carboxylic acid
PubChem CID66128860
Molecular FormulaC11H13N3O4
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name2-(2,5-dimethylpyrazol-3-yl)-5-ethoxy-1,3-oxazole-4-carboxylic acid
SMILESCCOc1oc(-c2cc(C)nn2C)nc1C(=O)O
InChIInChI=1S/C11H13N3O4/c1-4-17-11-8(10(15)16)12-9(18-11)7-5-6(2)13-14(7)3/h5H,4H2,1-3H3,(H,15,16)
InChIKeyAZWKZWYBSYTLJN-UHFFFAOYSA-N
XLogP1.48
TPSA90.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-5-ethoxy-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-5-ethoxy-1,3-oxazole-4-carboxylic acid (CID 66128860) is 2-(2,5-dimethylpyrazol-3-yl)-5-ethoxy-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-(2,5-dimethylpyrazol-3-yl)-5-ethoxy-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-(2,5-dimethylpyrazol-3-yl)-5-ethoxy-1,3-oxazole-4-carboxylic acid is CCOc1oc(-c2cc(C)nn2C)nc1C(=O)O.
What is the InChIKey of 2-(2,5-dimethylpyrazol-3-yl)-5-ethoxy-1,3-oxazole-4-carboxylic acid?
The InChIKey is AZWKZWYBSYTLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4/c1-4-17-11-8(10(15)16)12-9(18-11)7-5-6(2)13-14(7)3/h5H,4H2,1-3H3,(H,15,16).
What are the key properties of 2-(2,5-dimethylpyrazol-3-yl)-5-ethoxy-1,3-oxazole-4-carboxylic acid?
2-(2,5-dimethylpyrazol-3-yl)-5-ethoxy-1,3-oxazole-4-carboxylic acid has a molecular weight of 251.24 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrazol-3-yl)-5-ethoxy-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 66128860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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