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

C9H9N3O3 — CID 66133379

IUPAC3-(3-ethylimidazol-4-yl)-1,2-oxazole-5-carboxylic acid
SMILESCCn1cncc1-c1cc(C(=O)O)on1
InChIInChI=1S/C9H9N3O3/c1-2-12-5-10-4-7(12)6-3-8(9(13)14)15-11-6/h3-5H,2H2,1H3,(H,13,14)
InChIKeyOKZXJDKGRAZKIQ-UHFFFAOYSA-N
MW207.19 g/mol
LogP1.26
Rot. Bonds3

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

3-(3-ethylimidazol-4-yl)-1,2-oxazole-5-carboxylic acid (PubChem CID 66133379) has the molecular formula C9H9N3O3 and a molecular weight of 207.19 g/mol. Its IUPAC name is 3-(3-ethylimidazol-4-yl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(3-ethylimidazol-4-yl)-1,2-oxazole-5-carboxylic acid
PubChem CID66133379
Molecular FormulaC9H9N3O3
Molecular Weight207.19 g/mol
Exact Mass207.06
IUPAC Name3-(3-ethylimidazol-4-yl)-1,2-oxazole-5-carboxylic acid
SMILESCCn1cncc1-c1cc(C(=O)O)on1
InChIInChI=1S/C9H9N3O3/c1-2-12-5-10-4-7(12)6-3-8(9(13)14)15-11-6/h3-5H,2H2,1H3,(H,13,14)
InChIKeyOKZXJDKGRAZKIQ-UHFFFAOYSA-N
XLogP1.26
TPSA81.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylimidazol-4-yl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(3-ethylimidazol-4-yl)-1,2-oxazole-5-carboxylic acid (CID 66133379) is 3-(3-ethylimidazol-4-yl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(3-ethylimidazol-4-yl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(3-ethylimidazol-4-yl)-1,2-oxazole-5-carboxylic acid is CCn1cncc1-c1cc(C(=O)O)on1.
What is the InChIKey of 3-(3-ethylimidazol-4-yl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is OKZXJDKGRAZKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3/c1-2-12-5-10-4-7(12)6-3-8(9(13)14)15-11-6/h3-5H,2H2,1H3,(H,13,14).
What are the key properties of 3-(3-ethylimidazol-4-yl)-1,2-oxazole-5-carboxylic acid?
3-(3-ethylimidazol-4-yl)-1,2-oxazole-5-carboxylic acid has a molecular weight of 207.19 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylimidazol-4-yl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 66133379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).