5-oxo-2,6-dihydropyrazolo[3,4-d][1,3]oxazole-3-carboxylic acid

C5H3N3O4 — CID 136922867

IUPAC5-oxo-2,6-dihydropyrazolo[3,4-d][1,3]oxazole-3-carboxylic acid
SMILESO=C(O)c1[nH]nc2[nH]c(=O)oc12
InChIInChI=1S/C5H3N3O4/c9-4(10)1-2-3(8-7-1)6-5(11)12-2/h(H,9,10)(H2,6,7,8,11)
InChIKeyOQGLOSOCVLAOKL-UHFFFAOYSA-N
MW169.10 g/mol
LogP-0.46
Rot. Bonds1

About 5-oxo-2,6-dihydropyrazolo[3,4-d][1,3]oxazole-3-carboxylic acid

5-oxo-2,6-dihydropyrazolo[3,4-d][1,3]oxazole-3-carboxylic acid (PubChem CID 136922867) has the molecular formula C5H3N3O4 and a molecular weight of 169.10 g/mol. Its IUPAC name is 5-oxo-2,6-dihydropyrazolo[3,4-d][1,3]oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-oxo-2,6-dihydropyrazolo[3,4-d][1,3]oxazole-3-carboxylic acid
PubChem CID136922867
Molecular FormulaC5H3N3O4
Molecular Weight169.10 g/mol
Exact Mass169.01
IUPAC Name5-oxo-2,6-dihydropyrazolo[3,4-d][1,3]oxazole-3-carboxylic acid
SMILESO=C(O)c1[nH]nc2[nH]c(=O)oc12
InChIInChI=1S/C5H3N3O4/c9-4(10)1-2-3(8-7-1)6-5(11)12-2/h(H,9,10)(H2,6,7,8,11)
InChIKeyOQGLOSOCVLAOKL-UHFFFAOYSA-N
XLogP-0.46
TPSA111.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.10
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-2,6-dihydropyrazolo[3,4-d][1,3]oxazole-3-carboxylic acid?
The IUPAC name of 5-oxo-2,6-dihydropyrazolo[3,4-d][1,3]oxazole-3-carboxylic acid (CID 136922867) is 5-oxo-2,6-dihydropyrazolo[3,4-d][1,3]oxazole-3-carboxylic acid.
What is the SMILES notation for 5-oxo-2,6-dihydropyrazolo[3,4-d][1,3]oxazole-3-carboxylic acid?
The canonical SMILES for 5-oxo-2,6-dihydropyrazolo[3,4-d][1,3]oxazole-3-carboxylic acid is O=C(O)c1[nH]nc2[nH]c(=O)oc12.
What is the InChIKey of 5-oxo-2,6-dihydropyrazolo[3,4-d][1,3]oxazole-3-carboxylic acid?
The InChIKey is OQGLOSOCVLAOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3N3O4/c9-4(10)1-2-3(8-7-1)6-5(11)12-2/h(H,9,10)(H2,6,7,8,11).
What are the key properties of 5-oxo-2,6-dihydropyrazolo[3,4-d][1,3]oxazole-3-carboxylic acid?
5-oxo-2,6-dihydropyrazolo[3,4-d][1,3]oxazole-3-carboxylic acid has a molecular weight of 169.10 g/mol, XLogP of -0.46, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-2,6-dihydropyrazolo[3,4-d][1,3]oxazole-3-carboxylic acid is sourced from PubChem (CID 136922867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).