formaldehyde;1,2-oxazole-3-carboxylic acid

C5H5NO4 — CID 67075664

IUPACformaldehyde;1,2-oxazole-3-carboxylic acid
SMILESC=O.O=C(O)c1ccon1
InChIInChI=1S/C4H3NO3.CH2O/c6-4(7)3-1-2-8-5-3;1-2/h1-2H,(H,6,7);1H2
InChIKeyJYVAFFXXTLITCQ-UHFFFAOYSA-N
MW143.10 g/mol
LogP0.19
Rot. Bonds1

About formaldehyde;1,2-oxazole-3-carboxylic acid

formaldehyde;1,2-oxazole-3-carboxylic acid (PubChem CID 67075664) has the molecular formula C5H5NO4 and a molecular weight of 143.10 g/mol. Its IUPAC name is formaldehyde;1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Nameformaldehyde;1,2-oxazole-3-carboxylic acid
PubChem CID67075664
Molecular FormulaC5H5NO4
Molecular Weight143.10 g/mol
Exact Mass143.02
IUPAC Nameformaldehyde;1,2-oxazole-3-carboxylic acid
SMILESC=O.O=C(O)c1ccon1
InChIInChI=1S/C4H3NO3.CH2O/c6-4(7)3-1-2-8-5-3;1-2/h1-2H,(H,6,7);1H2
InChIKeyJYVAFFXXTLITCQ-UHFFFAOYSA-N
XLogP0.19
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.10
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of formaldehyde;1,2-oxazole-3-carboxylic acid?
The IUPAC name of formaldehyde;1,2-oxazole-3-carboxylic acid (CID 67075664) is formaldehyde;1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for formaldehyde;1,2-oxazole-3-carboxylic acid?
The canonical SMILES for formaldehyde;1,2-oxazole-3-carboxylic acid is C=O.O=C(O)c1ccon1.
What is the InChIKey of formaldehyde;1,2-oxazole-3-carboxylic acid?
The InChIKey is JYVAFFXXTLITCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3NO3.CH2O/c6-4(7)3-1-2-8-5-3;1-2/h1-2H,(H,6,7);1H2.
What are the key properties of formaldehyde;1,2-oxazole-3-carboxylic acid?
formaldehyde;1,2-oxazole-3-carboxylic acid has a molecular weight of 143.10 g/mol, XLogP of 0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 67075664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).