3-pyrimidin-4-yl-1,2-oxazole-5-carboxylic acid

C8H5N3O3 — CID 63986230

IUPAC3-pyrimidin-4-yl-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccncn2)no1
InChIInChI=1S/C8H5N3O3/c12-8(13)7-3-6(11-14-7)5-1-2-9-4-10-5/h1-4H,(H,12,13)
InChIKeyXYWASOMYMAYZKL-UHFFFAOYSA-N
MW191.15 g/mol
LogP0.83
Rot. Bonds2

About 3-pyrimidin-4-yl-1,2-oxazole-5-carboxylic acid

3-pyrimidin-4-yl-1,2-oxazole-5-carboxylic acid (PubChem CID 63986230) has the molecular formula C8H5N3O3 and a molecular weight of 191.15 g/mol. Its IUPAC name is 3-pyrimidin-4-yl-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-pyrimidin-4-yl-1,2-oxazole-5-carboxylic acid
PubChem CID63986230
Molecular FormulaC8H5N3O3
Molecular Weight191.15 g/mol
Exact Mass191.03
IUPAC Name3-pyrimidin-4-yl-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccncn2)no1
InChIInChI=1S/C8H5N3O3/c12-8(13)7-3-6(11-14-7)5-1-2-9-4-10-5/h1-4H,(H,12,13)
InChIKeyXYWASOMYMAYZKL-UHFFFAOYSA-N
XLogP0.83
TPSA89.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.15
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-pyrimidin-4-yl-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-pyrimidin-4-yl-1,2-oxazole-5-carboxylic acid (CID 63986230) is 3-pyrimidin-4-yl-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-pyrimidin-4-yl-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-pyrimidin-4-yl-1,2-oxazole-5-carboxylic acid is O=C(O)c1cc(-c2ccncn2)no1.
What is the InChIKey of 3-pyrimidin-4-yl-1,2-oxazole-5-carboxylic acid?
The InChIKey is XYWASOMYMAYZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N3O3/c12-8(13)7-3-6(11-14-7)5-1-2-9-4-10-5/h1-4H,(H,12,13).
What are the key properties of 3-pyrimidin-4-yl-1,2-oxazole-5-carboxylic acid?
3-pyrimidin-4-yl-1,2-oxazole-5-carboxylic acid has a molecular weight of 191.15 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrimidin-4-yl-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 63986230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).