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

C10H11N3O3 — CID 66133046

IUPAC3-(3-ethylimidazol-4-yl)-5-methyl-1,2-oxazole-4-carboxylic acid
SMILESCCn1cncc1-c1noc(C)c1C(=O)O
InChIInChI=1S/C10H11N3O3/c1-3-13-5-11-4-7(13)9-8(10(14)15)6(2)16-12-9/h4-5H,3H2,1-2H3,(H,14,15)
InChIKeyDPFZWLQJLFJQHE-UHFFFAOYSA-N
MW221.22 g/mol
LogP1.56
Rot. Bonds3

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

3-(3-ethylimidazol-4-yl)-5-methyl-1,2-oxazole-4-carboxylic acid (PubChem CID 66133046) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is 3-(3-ethylimidazol-4-yl)-5-methyl-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(3-ethylimidazol-4-yl)-5-methyl-1,2-oxazole-4-carboxylic acid
PubChem CID66133046
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name3-(3-ethylimidazol-4-yl)-5-methyl-1,2-oxazole-4-carboxylic acid
SMILESCCn1cncc1-c1noc(C)c1C(=O)O
InChIInChI=1S/C10H11N3O3/c1-3-13-5-11-4-7(13)9-8(10(14)15)6(2)16-12-9/h4-5H,3H2,1-2H3,(H,14,15)
InChIKeyDPFZWLQJLFJQHE-UHFFFAOYSA-N
XLogP1.56
TPSA81.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(3-ethylimidazol-4-yl)-5-methyl-1,2-oxazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylimidazol-4-yl)-5-methyl-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 3-(3-ethylimidazol-4-yl)-5-methyl-1,2-oxazole-4-carboxylic acid (CID 66133046) is 3-(3-ethylimidazol-4-yl)-5-methyl-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 3-(3-ethylimidazol-4-yl)-5-methyl-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 3-(3-ethylimidazol-4-yl)-5-methyl-1,2-oxazole-4-carboxylic acid is CCn1cncc1-c1noc(C)c1C(=O)O.
What is the InChIKey of 3-(3-ethylimidazol-4-yl)-5-methyl-1,2-oxazole-4-carboxylic acid?
The InChIKey is DPFZWLQJLFJQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c1-3-13-5-11-4-7(13)9-8(10(14)15)6(2)16-12-9/h4-5H,3H2,1-2H3,(H,14,15).
What are the key properties of 3-(3-ethylimidazol-4-yl)-5-methyl-1,2-oxazole-4-carboxylic acid?
3-(3-ethylimidazol-4-yl)-5-methyl-1,2-oxazole-4-carboxylic acid has a molecular weight of 221.22 g/mol, XLogP of 1.56, 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)-5-methyl-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 66133046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).