3-(1H-imidazol-5-yl)-1,2-oxazole-5-carboxylic acid

C7H5N3O3 — CID 137212082

IUPAC3-(1H-imidazol-5-yl)-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2cnc[nH]2)no1
InChIInChI=1S/C7H5N3O3/c11-7(12)6-1-4(10-13-6)5-2-8-3-9-5/h1-3H,(H,8,9)(H,11,12)
InChIKeyZFCNYPQVRSWOHX-UHFFFAOYSA-N
MW179.14 g/mol
LogP0.76
Rot. Bonds2

About 3-(1H-imidazol-5-yl)-1,2-oxazole-5-carboxylic acid

3-(1H-imidazol-5-yl)-1,2-oxazole-5-carboxylic acid (PubChem CID 137212082) has the molecular formula C7H5N3O3 and a molecular weight of 179.14 g/mol. Its IUPAC name is 3-(1H-imidazol-5-yl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(1H-imidazol-5-yl)-1,2-oxazole-5-carboxylic acid
PubChem CID137212082
Molecular FormulaC7H5N3O3
Molecular Weight179.14 g/mol
Exact Mass179.03
IUPAC Name3-(1H-imidazol-5-yl)-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2cnc[nH]2)no1
InChIInChI=1S/C7H5N3O3/c11-7(12)6-1-4(10-13-6)5-2-8-3-9-5/h1-3H,(H,8,9)(H,11,12)
InChIKeyZFCNYPQVRSWOHX-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 3-(1H-imidazol-5-yl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(1H-imidazol-5-yl)-1,2-oxazole-5-carboxylic acid (CID 137212082) is 3-(1H-imidazol-5-yl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(1H-imidazol-5-yl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(1H-imidazol-5-yl)-1,2-oxazole-5-carboxylic acid is O=C(O)c1cc(-c2cnc[nH]2)no1.
What is the InChIKey of 3-(1H-imidazol-5-yl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is ZFCNYPQVRSWOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O3/c11-7(12)6-1-4(10-13-6)5-2-8-3-9-5/h1-3H,(H,8,9)(H,11,12).
What are the key properties of 3-(1H-imidazol-5-yl)-1,2-oxazole-5-carboxylic acid?
3-(1H-imidazol-5-yl)-1,2-oxazole-5-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 3-(1H-imidazol-5-yl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 137212082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).