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

C12H15N3O3 — CID 66130186

IUPAC5-ethyl-3-(3-propylimidazol-4-yl)-1,2-oxazole-4-carboxylic acid
SMILESCCCn1cncc1-c1noc(CC)c1C(=O)O
InChIInChI=1S/C12H15N3O3/c1-3-5-15-7-13-6-8(15)11-10(12(16)17)9(4-2)18-14-11/h6-7H,3-5H2,1-2H3,(H,16,17)
InChIKeyBQEWULOPCLJDLD-UHFFFAOYSA-N
MW249.27 g/mol
LogP2.21
Rot. Bonds5

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

5-ethyl-3-(3-propylimidazol-4-yl)-1,2-oxazole-4-carboxylic acid (PubChem CID 66130186) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 5-ethyl-3-(3-propylimidazol-4-yl)-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-3-(3-propylimidazol-4-yl)-1,2-oxazole-4-carboxylic acid
PubChem CID66130186
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name5-ethyl-3-(3-propylimidazol-4-yl)-1,2-oxazole-4-carboxylic acid
SMILESCCCn1cncc1-c1noc(CC)c1C(=O)O
InChIInChI=1S/C12H15N3O3/c1-3-5-15-7-13-6-8(15)11-10(12(16)17)9(4-2)18-14-11/h6-7H,3-5H2,1-2H3,(H,16,17)
InChIKeyBQEWULOPCLJDLD-UHFFFAOYSA-N
XLogP2.21
TPSA81.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-ethyl-3-(3-propylimidazol-4-yl)-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 5-ethyl-3-(3-propylimidazol-4-yl)-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-ethyl-3-(3-propylimidazol-4-yl)-1,2-oxazole-4-carboxylic acid (CID 66130186) is 5-ethyl-3-(3-propylimidazol-4-yl)-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-ethyl-3-(3-propylimidazol-4-yl)-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-ethyl-3-(3-propylimidazol-4-yl)-1,2-oxazole-4-carboxylic acid is CCCn1cncc1-c1noc(CC)c1C(=O)O.
What is the InChIKey of 5-ethyl-3-(3-propylimidazol-4-yl)-1,2-oxazole-4-carboxylic acid?
The InChIKey is BQEWULOPCLJDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-3-5-15-7-13-6-8(15)11-10(12(16)17)9(4-2)18-14-11/h6-7H,3-5H2,1-2H3,(H,16,17).
What are the key properties of 5-ethyl-3-(3-propylimidazol-4-yl)-1,2-oxazole-4-carboxylic acid?
5-ethyl-3-(3-propylimidazol-4-yl)-1,2-oxazole-4-carboxylic acid has a molecular weight of 249.27 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(3-propylimidazol-4-yl)-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 66130186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).