4,5-dihydro-1,2-oxazole-3-carboxylic acid

C4H5NO3 — CID 642418

IUPAC4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)C1=NOCC1
InChIInChI=1S/C4H5NO3/c6-4(7)3-1-2-8-5-3/h1-2H2,(H,6,7)
InChIKeyZYDBNGULYNHMSF-UHFFFAOYSA-N
MW115.09 g/mol
LogP-0.15
Rot. Bonds1

About 4,5-dihydro-1,2-oxazole-3-carboxylic acid

4,5-dihydro-1,2-oxazole-3-carboxylic acid (PubChem CID 642418) has the molecular formula C4H5NO3 and a molecular weight of 115.09 g/mol. Its IUPAC name is 4,5-dihydro-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name4,5-dihydro-1,2-oxazole-3-carboxylic acid
PubChem CID642418
Molecular FormulaC4H5NO3
Molecular Weight115.09 g/mol
Exact Mass115.03
IUPAC Name4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)C1=NOCC1
InChIInChI=1S/C4H5NO3/c6-4(7)3-1-2-8-5-3/h1-2H2,(H,6,7)
InChIKeyZYDBNGULYNHMSF-UHFFFAOYSA-N
XLogP-0.15
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.09
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 4,5-dihydro-1,2-oxazole-3-carboxylic acid (CID 642418) is 4,5-dihydro-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 4,5-dihydro-1,2-oxazole-3-carboxylic acid is O=C(O)C1=NOCC1.
What is the InChIKey of 4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The InChIKey is ZYDBNGULYNHMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO3/c6-4(7)3-1-2-8-5-3/h1-2H2,(H,6,7).
What are the key properties of 4,5-dihydro-1,2-oxazole-3-carboxylic acid?
4,5-dihydro-1,2-oxazole-3-carboxylic acid has a molecular weight of 115.09 g/mol, XLogP of -0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 642418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).