2-(1,3-oxazol-4-yl)-1,3-oxazole-4-carboxylic acid

C7H4N2O4 — CID 58443555

IUPAC2-(1,3-oxazol-4-yl)-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(-c2cocn2)n1
InChIInChI=1S/C7H4N2O4/c10-7(11)5-2-13-6(9-5)4-1-12-3-8-4/h1-3H,(H,10,11)
InChIKeyZNJPKNXHEIVAPC-UHFFFAOYSA-N
MW180.12 g/mol
LogP1.03
Rot. Bonds2

About 2-(1,3-oxazol-4-yl)-1,3-oxazole-4-carboxylic acid

2-(1,3-oxazol-4-yl)-1,3-oxazole-4-carboxylic acid (PubChem CID 58443555) has the molecular formula C7H4N2O4 and a molecular weight of 180.12 g/mol. Its IUPAC name is 2-(1,3-oxazol-4-yl)-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(1,3-oxazol-4-yl)-1,3-oxazole-4-carboxylic acid
PubChem CID58443555
Molecular FormulaC7H4N2O4
Molecular Weight180.12 g/mol
Exact Mass180.02
IUPAC Name2-(1,3-oxazol-4-yl)-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(-c2cocn2)n1
InChIInChI=1S/C7H4N2O4/c10-7(11)5-2-13-6(9-5)4-1-12-3-8-4/h1-3H,(H,10,11)
InChIKeyZNJPKNXHEIVAPC-UHFFFAOYSA-N
XLogP1.03
TPSA89.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.12
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-oxazol-4-yl)-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-(1,3-oxazol-4-yl)-1,3-oxazole-4-carboxylic acid (CID 58443555) is 2-(1,3-oxazol-4-yl)-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-(1,3-oxazol-4-yl)-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-(1,3-oxazol-4-yl)-1,3-oxazole-4-carboxylic acid is O=C(O)c1coc(-c2cocn2)n1.
What is the InChIKey of 2-(1,3-oxazol-4-yl)-1,3-oxazole-4-carboxylic acid?
The InChIKey is ZNJPKNXHEIVAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N2O4/c10-7(11)5-2-13-6(9-5)4-1-12-3-8-4/h1-3H,(H,10,11).
What are the key properties of 2-(1,3-oxazol-4-yl)-1,3-oxazole-4-carboxylic acid?
2-(1,3-oxazol-4-yl)-1,3-oxazole-4-carboxylic acid has a molecular weight of 180.12 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-oxazol-4-yl)-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 58443555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).