3-(1H-pyrazol-4-ylcarbamoyl)-1,2-oxazole-5-carboxylic acid

C8H6N4O4 — CID 107369215

IUPAC3-(1H-pyrazol-4-ylcarbamoyl)-1,2-oxazole-5-carboxylic acid
SMILESO=C(Nc1cn[nH]c1)c1cc(C(=O)O)on1
InChIInChI=1S/C8H6N4O4/c13-7(11-4-2-9-10-3-4)5-1-6(8(14)15)16-12-5/h1-3H,(H,9,10)(H,11,13)(H,14,15)
InChIKeyWXONELWOMJPAMO-UHFFFAOYSA-N
MW222.16 g/mol
LogP0.35
Rot. Bonds3

About 3-(1H-pyrazol-4-ylcarbamoyl)-1,2-oxazole-5-carboxylic acid

3-(1H-pyrazol-4-ylcarbamoyl)-1,2-oxazole-5-carboxylic acid (PubChem CID 107369215) has the molecular formula C8H6N4O4 and a molecular weight of 222.16 g/mol. Its IUPAC name is 3-(1H-pyrazol-4-ylcarbamoyl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(1H-pyrazol-4-ylcarbamoyl)-1,2-oxazole-5-carboxylic acid
PubChem CID107369215
Molecular FormulaC8H6N4O4
Molecular Weight222.16 g/mol
Exact Mass222.04
IUPAC Name3-(1H-pyrazol-4-ylcarbamoyl)-1,2-oxazole-5-carboxylic acid
SMILESO=C(Nc1cn[nH]c1)c1cc(C(=O)O)on1
InChIInChI=1S/C8H6N4O4/c13-7(11-4-2-9-10-3-4)5-1-6(8(14)15)16-12-5/h1-3H,(H,9,10)(H,11,13)(H,14,15)
InChIKeyWXONELWOMJPAMO-UHFFFAOYSA-N
XLogP0.35
TPSA121.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.16
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrazol-4-ylcarbamoyl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(1H-pyrazol-4-ylcarbamoyl)-1,2-oxazole-5-carboxylic acid (CID 107369215) is 3-(1H-pyrazol-4-ylcarbamoyl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(1H-pyrazol-4-ylcarbamoyl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(1H-pyrazol-4-ylcarbamoyl)-1,2-oxazole-5-carboxylic acid is O=C(Nc1cn[nH]c1)c1cc(C(=O)O)on1.
What is the InChIKey of 3-(1H-pyrazol-4-ylcarbamoyl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is WXONELWOMJPAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4O4/c13-7(11-4-2-9-10-3-4)5-1-6(8(14)15)16-12-5/h1-3H,(H,9,10)(H,11,13)(H,14,15).
What are the key properties of 3-(1H-pyrazol-4-ylcarbamoyl)-1,2-oxazole-5-carboxylic acid?
3-(1H-pyrazol-4-ylcarbamoyl)-1,2-oxazole-5-carboxylic acid has a molecular weight of 222.16 g/mol, XLogP of 0.35, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrazol-4-ylcarbamoyl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 107369215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).