2-(1,2-oxazol-4-yl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid

C7H6N2O4 — CID 67442153

IUPAC2-(1,2-oxazol-4-yl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)C1COC(c2cnoc2)=N1
InChIInChI=1S/C7H6N2O4/c10-7(11)5-3-12-6(9-5)4-1-8-13-2-4/h1-2,5H,3H2,(H,10,11)
InChIKeyJGVGATAFTHEYHH-UHFFFAOYSA-N
MW182.14 g/mol
LogP-0.10
Rot. Bonds2

About 2-(1,2-oxazol-4-yl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid

2-(1,2-oxazol-4-yl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid (PubChem CID 67442153) has the molecular formula C7H6N2O4 and a molecular weight of 182.14 g/mol. Its IUPAC name is 2-(1,2-oxazol-4-yl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(1,2-oxazol-4-yl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid
PubChem CID67442153
Molecular FormulaC7H6N2O4
Molecular Weight182.14 g/mol
Exact Mass182.03
IUPAC Name2-(1,2-oxazol-4-yl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)C1COC(c2cnoc2)=N1
InChIInChI=1S/C7H6N2O4/c10-7(11)5-3-12-6(9-5)4-1-8-13-2-4/h1-2,5H,3H2,(H,10,11)
InChIKeyJGVGATAFTHEYHH-UHFFFAOYSA-N
XLogP-0.10
TPSA84.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.14
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-oxazol-4-yl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-(1,2-oxazol-4-yl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid (CID 67442153) is 2-(1,2-oxazol-4-yl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-(1,2-oxazol-4-yl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-(1,2-oxazol-4-yl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid is O=C(O)C1COC(c2cnoc2)=N1.
What is the InChIKey of 2-(1,2-oxazol-4-yl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid?
The InChIKey is JGVGATAFTHEYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O4/c10-7(11)5-3-12-6(9-5)4-1-8-13-2-4/h1-2,5H,3H2,(H,10,11).
What are the key properties of 2-(1,2-oxazol-4-yl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid?
2-(1,2-oxazol-4-yl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid has a molecular weight of 182.14 g/mol, XLogP of -0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-oxazol-4-yl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 67442153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).