5-(1,3-oxazol-5-yl)-1H-imidazole-4-carboxylic acid

C7H5N3O3 — CID 96590892

IUPAC5-(1,3-oxazol-5-yl)-1H-imidazole-4-carboxylic acid
SMILESO=C(O)c1nc[nH]c1-c1cnco1
InChIInChI=1S/C7H5N3O3/c11-7(12)6-5(9-2-10-6)4-1-8-3-13-4/h1-3H,(H,9,10)(H,11,12)
InChIKeyOZBNCWDZPSJBGA-UHFFFAOYSA-N
MW179.14 g/mol
LogP0.76
Rot. Bonds2

About 5-(1,3-oxazol-5-yl)-1H-imidazole-4-carboxylic acid

5-(1,3-oxazol-5-yl)-1H-imidazole-4-carboxylic acid (PubChem CID 96590892) has the molecular formula C7H5N3O3 and a molecular weight of 179.14 g/mol. Its IUPAC name is 5-(1,3-oxazol-5-yl)-1H-imidazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(1,3-oxazol-5-yl)-1H-imidazole-4-carboxylic acid
PubChem CID96590892
Molecular FormulaC7H5N3O3
Molecular Weight179.14 g/mol
Exact Mass179.03
IUPAC Name5-(1,3-oxazol-5-yl)-1H-imidazole-4-carboxylic acid
SMILESO=C(O)c1nc[nH]c1-c1cnco1
InChIInChI=1S/C7H5N3O3/c11-7(12)6-5(9-2-10-6)4-1-8-3-13-4/h1-3H,(H,9,10)(H,11,12)
InChIKeyOZBNCWDZPSJBGA-UHFFFAOYSA-N
XLogP0.76
TPSA92.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.14
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-oxazol-5-yl)-1H-imidazole-4-carboxylic acid?
The IUPAC name of 5-(1,3-oxazol-5-yl)-1H-imidazole-4-carboxylic acid (CID 96590892) is 5-(1,3-oxazol-5-yl)-1H-imidazole-4-carboxylic acid.
What is the SMILES notation for 5-(1,3-oxazol-5-yl)-1H-imidazole-4-carboxylic acid?
The canonical SMILES for 5-(1,3-oxazol-5-yl)-1H-imidazole-4-carboxylic acid is O=C(O)c1nc[nH]c1-c1cnco1.
What is the InChIKey of 5-(1,3-oxazol-5-yl)-1H-imidazole-4-carboxylic acid?
The InChIKey is OZBNCWDZPSJBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O3/c11-7(12)6-5(9-2-10-6)4-1-8-3-13-4/h1-3H,(H,9,10)(H,11,12).
What are the key properties of 5-(1,3-oxazol-5-yl)-1H-imidazole-4-carboxylic acid?
5-(1,3-oxazol-5-yl)-1H-imidazole-4-carboxylic acid has a molecular weight of 179.14 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-oxazol-5-yl)-1H-imidazole-4-carboxylic acid is sourced from PubChem (CID 96590892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).