oxalic acid;1,2-oxazole

C5H5NO5 — CID 19013356

IUPACoxalic acid;1,2-oxazole
SMILESO=C(O)C(=O)O.c1cnoc1
InChIInChI=1S/C3H3NO.C2H2O4/c1-2-4-5-3-1;3-1(4)2(5)6/h1-3H;(H,3,4)(H,5,6)
InChIKeyJRIJGWMNERDFMP-UHFFFAOYSA-N
MW159.10 g/mol
LogP-0.17
Rot. Bonds

About oxalic acid;1,2-oxazole

oxalic acid;1,2-oxazole (PubChem CID 19013356) has the molecular formula C5H5NO5 and a molecular weight of 159.10 g/mol. Its IUPAC name is oxalic acid;1,2-oxazole.

Molecular Properties

Compound Nameoxalic acid;1,2-oxazole
PubChem CID19013356
Molecular FormulaC5H5NO5
Molecular Weight159.10 g/mol
Exact Mass159.02
IUPAC Nameoxalic acid;1,2-oxazole
SMILESO=C(O)C(=O)O.c1cnoc1
InChIInChI=1S/C3H3NO.C2H2O4/c1-2-4-5-3-1;3-1(4)2(5)6/h1-3H;(H,3,4)(H,5,6)
InChIKeyJRIJGWMNERDFMP-UHFFFAOYSA-N
XLogP-0.17
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.10
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of oxalic acid;1,2-oxazole?
The IUPAC name of oxalic acid;1,2-oxazole (CID 19013356) is oxalic acid;1,2-oxazole.
What is the SMILES notation for oxalic acid;1,2-oxazole?
The canonical SMILES for oxalic acid;1,2-oxazole is O=C(O)C(=O)O.c1cnoc1.
What is the InChIKey of oxalic acid;1,2-oxazole?
The InChIKey is JRIJGWMNERDFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3NO.C2H2O4/c1-2-4-5-3-1;3-1(4)2(5)6/h1-3H;(H,3,4)(H,5,6).
What are the key properties of oxalic acid;1,2-oxazole?
oxalic acid;1,2-oxazole has a molecular weight of 159.10 g/mol, XLogP of -0.17, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;1,2-oxazole is sourced from PubChem (CID 19013356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).