2-imidazol-1-yl-1,3-oxazole-4-carboxylic acid

C7H5N3O3 — CID 112692736

IUPAC2-imidazol-1-yl-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(-n2ccnc2)n1
InChIInChI=1S/C7H5N3O3/c11-6(12)5-3-13-7(9-5)10-2-1-8-4-10/h1-4H,(H,11,12)
InChIKeyDFZKFQATTGGVEW-UHFFFAOYSA-N
MW179.14 g/mol
LogP0.56
Rot. Bonds2

About 2-imidazol-1-yl-1,3-oxazole-4-carboxylic acid

2-imidazol-1-yl-1,3-oxazole-4-carboxylic acid (PubChem CID 112692736) has the molecular formula C7H5N3O3 and a molecular weight of 179.14 g/mol. Its IUPAC name is 2-imidazol-1-yl-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-imidazol-1-yl-1,3-oxazole-4-carboxylic acid
PubChem CID112692736
Molecular FormulaC7H5N3O3
Molecular Weight179.14 g/mol
Exact Mass179.03
IUPAC Name2-imidazol-1-yl-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(-n2ccnc2)n1
InChIInChI=1S/C7H5N3O3/c11-6(12)5-3-13-7(9-5)10-2-1-8-4-10/h1-4H,(H,11,12)
InChIKeyDFZKFQATTGGVEW-UHFFFAOYSA-N
XLogP0.56
TPSA81.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.14
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-imidazol-1-yl-1,3-oxazole-4-carboxylic acid (CID 112692736) is 2-imidazol-1-yl-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-imidazol-1-yl-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-imidazol-1-yl-1,3-oxazole-4-carboxylic acid is O=C(O)c1coc(-n2ccnc2)n1.
What is the InChIKey of 2-imidazol-1-yl-1,3-oxazole-4-carboxylic acid?
The InChIKey is DFZKFQATTGGVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O3/c11-6(12)5-3-13-7(9-5)10-2-1-8-4-10/h1-4H,(H,11,12).
What are the key properties of 2-imidazol-1-yl-1,3-oxazole-4-carboxylic acid?
2-imidazol-1-yl-1,3-oxazole-4-carboxylic acid has a molecular weight of 179.14 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 112692736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).