2,3-dihydropyrazolo[5,1-b][1,3]oxazole-7-carboxylic acid

C6H6N2O3 — CID 83815408

IUPAC2,3-dihydropyrazolo[5,1-b][1,3]oxazole-7-carboxylic acid
SMILESO=C(O)c1cnn2c1OCC2
InChIInChI=1S/C6H6N2O3/c9-6(10)4-3-7-8-1-2-11-5(4)8/h3H,1-2H2,(H,9,10)
InChIKeyXPHNBRIOESOWQT-UHFFFAOYSA-N
MW154.12 g/mol
LogP-0.03
Rot. Bonds1

About 2,3-dihydropyrazolo[5,1-b][1,3]oxazole-7-carboxylic acid

2,3-dihydropyrazolo[5,1-b][1,3]oxazole-7-carboxylic acid (PubChem CID 83815408) has the molecular formula C6H6N2O3 and a molecular weight of 154.12 g/mol. Its IUPAC name is 2,3-dihydropyrazolo[5,1-b][1,3]oxazole-7-carboxylic acid.

Molecular Properties

Compound Name2,3-dihydropyrazolo[5,1-b][1,3]oxazole-7-carboxylic acid
PubChem CID83815408
Molecular FormulaC6H6N2O3
Molecular Weight154.12 g/mol
Exact Mass154.04
IUPAC Name2,3-dihydropyrazolo[5,1-b][1,3]oxazole-7-carboxylic acid
SMILESO=C(O)c1cnn2c1OCC2
InChIInChI=1S/C6H6N2O3/c9-6(10)4-3-7-8-1-2-11-5(4)8/h3H,1-2H2,(H,9,10)
InChIKeyXPHNBRIOESOWQT-UHFFFAOYSA-N
XLogP-0.03
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.12
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydropyrazolo[5,1-b][1,3]oxazole-7-carboxylic acid?
The IUPAC name of 2,3-dihydropyrazolo[5,1-b][1,3]oxazole-7-carboxylic acid (CID 83815408) is 2,3-dihydropyrazolo[5,1-b][1,3]oxazole-7-carboxylic acid.
What is the SMILES notation for 2,3-dihydropyrazolo[5,1-b][1,3]oxazole-7-carboxylic acid?
The canonical SMILES for 2,3-dihydropyrazolo[5,1-b][1,3]oxazole-7-carboxylic acid is O=C(O)c1cnn2c1OCC2.
What is the InChIKey of 2,3-dihydropyrazolo[5,1-b][1,3]oxazole-7-carboxylic acid?
The InChIKey is XPHNBRIOESOWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O3/c9-6(10)4-3-7-8-1-2-11-5(4)8/h3H,1-2H2,(H,9,10).
What are the key properties of 2,3-dihydropyrazolo[5,1-b][1,3]oxazole-7-carboxylic acid?
2,3-dihydropyrazolo[5,1-b][1,3]oxazole-7-carboxylic acid has a molecular weight of 154.12 g/mol, XLogP of -0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydropyrazolo[5,1-b][1,3]oxazole-7-carboxylic acid is sourced from PubChem (CID 83815408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).