4-pyrazin-2-yl-1,3-oxazole-2-carboxylic acid

C8H5N3O3 — CID 175926178

IUPAC4-pyrazin-2-yl-1,3-oxazole-2-carboxylic acid
SMILESO=C(O)c1nc(-c2cnccn2)co1
InChIInChI=1S/C8H5N3O3/c12-8(13)7-11-6(4-14-7)5-3-9-1-2-10-5/h1-4H,(H,12,13)
InChIKeyDHKNHMOFUKYMAI-UHFFFAOYSA-N
MW191.15 g/mol
LogP0.83
Rot. Bonds2

About 4-pyrazin-2-yl-1,3-oxazole-2-carboxylic acid

4-pyrazin-2-yl-1,3-oxazole-2-carboxylic acid (PubChem CID 175926178) has the molecular formula C8H5N3O3 and a molecular weight of 191.15 g/mol. Its IUPAC name is 4-pyrazin-2-yl-1,3-oxazole-2-carboxylic acid.

Molecular Properties

Compound Name4-pyrazin-2-yl-1,3-oxazole-2-carboxylic acid
PubChem CID175926178
Molecular FormulaC8H5N3O3
Molecular Weight191.15 g/mol
Exact Mass191.03
IUPAC Name4-pyrazin-2-yl-1,3-oxazole-2-carboxylic acid
SMILESO=C(O)c1nc(-c2cnccn2)co1
InChIInChI=1S/C8H5N3O3/c12-8(13)7-11-6(4-14-7)5-3-9-1-2-10-5/h1-4H,(H,12,13)
InChIKeyDHKNHMOFUKYMAI-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 4-pyrazin-2-yl-1,3-oxazole-2-carboxylic acid?
The IUPAC name of 4-pyrazin-2-yl-1,3-oxazole-2-carboxylic acid (CID 175926178) is 4-pyrazin-2-yl-1,3-oxazole-2-carboxylic acid.
What is the SMILES notation for 4-pyrazin-2-yl-1,3-oxazole-2-carboxylic acid?
The canonical SMILES for 4-pyrazin-2-yl-1,3-oxazole-2-carboxylic acid is O=C(O)c1nc(-c2cnccn2)co1.
What is the InChIKey of 4-pyrazin-2-yl-1,3-oxazole-2-carboxylic acid?
The InChIKey is DHKNHMOFUKYMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N3O3/c12-8(13)7-11-6(4-14-7)5-3-9-1-2-10-5/h1-4H,(H,12,13).
What are the key properties of 4-pyrazin-2-yl-1,3-oxazole-2-carboxylic acid?
4-pyrazin-2-yl-1,3-oxazole-2-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 4-pyrazin-2-yl-1,3-oxazole-2-carboxylic acid is sourced from PubChem (CID 175926178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).