formic acid;1,3-oxazole-4-carboxylic acid

C5H5NO5 — CID 160937856

IUPACformic acid;1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1cocn1.O=CO
InChIInChI=1S/C4H3NO3.CH2O2/c6-4(7)3-1-8-2-5-3;2-1-3/h1-2H,(H,6,7);1H,(H,2,3)
InChIKeySUCNRNYWUBBWCV-UHFFFAOYSA-N
MW159.10 g/mol
LogP0.07
Rot. Bonds1

About formic acid;1,3-oxazole-4-carboxylic acid

formic acid;1,3-oxazole-4-carboxylic acid (PubChem CID 160937856) has the molecular formula C5H5NO5 and a molecular weight of 159.10 g/mol. Its IUPAC name is formic acid;1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Nameformic acid;1,3-oxazole-4-carboxylic acid
PubChem CID160937856
Molecular FormulaC5H5NO5
Molecular Weight159.10 g/mol
Exact Mass159.02
IUPAC Nameformic acid;1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1cocn1.O=CO
InChIInChI=1S/C4H3NO3.CH2O2/c6-4(7)3-1-8-2-5-3;2-1-3/h1-2H,(H,6,7);1H,(H,2,3)
InChIKeySUCNRNYWUBBWCV-UHFFFAOYSA-N
XLogP0.07
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.10
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of formic acid;1,3-oxazole-4-carboxylic acid?
The IUPAC name of formic acid;1,3-oxazole-4-carboxylic acid (CID 160937856) is formic acid;1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for formic acid;1,3-oxazole-4-carboxylic acid?
The canonical SMILES for formic acid;1,3-oxazole-4-carboxylic acid is O=C(O)c1cocn1.O=CO.
What is the InChIKey of formic acid;1,3-oxazole-4-carboxylic acid?
The InChIKey is SUCNRNYWUBBWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3NO3.CH2O2/c6-4(7)3-1-8-2-5-3;2-1-3/h1-2H,(H,6,7);1H,(H,2,3).
What are the key properties of formic acid;1,3-oxazole-4-carboxylic acid?
formic acid;1,3-oxazole-4-carboxylic acid has a molecular weight of 159.10 g/mol, XLogP of 0.07, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 160937856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).