2-(1,3-oxazol-2-yl)-2-oxoacetic acid

C5H3NO4 — CID 20526943

IUPAC2-(1,3-oxazol-2-yl)-2-oxoacetic acid
SMILESO=C(O)C(=O)c1ncco1
InChIInChI=1S/C5H3NO4/c7-3(5(8)9)4-6-1-2-10-4/h1-2H,(H,8,9)
InChIKeyFTXJZJMTYXYZIM-UHFFFAOYSA-N
MW141.08 g/mol
LogP-0.06
Rot. Bonds2

About 2-(1,3-oxazol-2-yl)-2-oxoacetic acid

2-(1,3-oxazol-2-yl)-2-oxoacetic acid (PubChem CID 20526943) has the molecular formula C5H3NO4 and a molecular weight of 141.08 g/mol. Its IUPAC name is 2-(1,3-oxazol-2-yl)-2-oxoacetic acid.

Molecular Properties

Compound Name2-(1,3-oxazol-2-yl)-2-oxoacetic acid
PubChem CID20526943
Molecular FormulaC5H3NO4
Molecular Weight141.08 g/mol
Exact Mass141.01
IUPAC Name2-(1,3-oxazol-2-yl)-2-oxoacetic acid
SMILESO=C(O)C(=O)c1ncco1
InChIInChI=1S/C5H3NO4/c7-3(5(8)9)4-6-1-2-10-4/h1-2H,(H,8,9)
InChIKeyFTXJZJMTYXYZIM-UHFFFAOYSA-N
XLogP-0.06
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.08
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
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 2-(1,3-oxazol-2-yl)-2-oxoacetic acid?
The IUPAC name of 2-(1,3-oxazol-2-yl)-2-oxoacetic acid (CID 20526943) is 2-(1,3-oxazol-2-yl)-2-oxoacetic acid.
What is the SMILES notation for 2-(1,3-oxazol-2-yl)-2-oxoacetic acid?
The canonical SMILES for 2-(1,3-oxazol-2-yl)-2-oxoacetic acid is O=C(O)C(=O)c1ncco1.
What is the InChIKey of 2-(1,3-oxazol-2-yl)-2-oxoacetic acid?
The InChIKey is FTXJZJMTYXYZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3NO4/c7-3(5(8)9)4-6-1-2-10-4/h1-2H,(H,8,9).
What are the key properties of 2-(1,3-oxazol-2-yl)-2-oxoacetic acid?
2-(1,3-oxazol-2-yl)-2-oxoacetic acid has a molecular weight of 141.08 g/mol, XLogP of -0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-oxazol-2-yl)-2-oxoacetic acid is sourced from PubChem (CID 20526943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).