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

C7H4N4O3 — CID 102922619

IUPAC5-pyrimidin-5-yl-1,2,4-oxadiazole-3-carboxylic acid
SMILESO=C(O)c1noc(-c2cncnc2)n1
InChIInChI=1S/C7H4N4O3/c12-7(13)5-10-6(14-11-5)4-1-8-3-9-2-4/h1-3H,(H,12,13)
InChIKeyCLDREQMXGHUOHZ-UHFFFAOYSA-N
MW192.13 g/mol
LogP0.22
Rot. Bonds2

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

5-pyrimidin-5-yl-1,2,4-oxadiazole-3-carboxylic acid (PubChem CID 102922619) has the molecular formula C7H4N4O3 and a molecular weight of 192.13 g/mol. Its IUPAC name is 5-pyrimidin-5-yl-1,2,4-oxadiazole-3-carboxylic acid.

Molecular Properties

Compound Name5-pyrimidin-5-yl-1,2,4-oxadiazole-3-carboxylic acid
PubChem CID102922619
Molecular FormulaC7H4N4O3
Molecular Weight192.13 g/mol
Exact Mass192.03
IUPAC Name5-pyrimidin-5-yl-1,2,4-oxadiazole-3-carboxylic acid
SMILESO=C(O)c1noc(-c2cncnc2)n1
InChIInChI=1S/C7H4N4O3/c12-7(13)5-10-6(14-11-5)4-1-8-3-9-2-4/h1-3H,(H,12,13)
InChIKeyCLDREQMXGHUOHZ-UHFFFAOYSA-N
XLogP0.22
TPSA102.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.13
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-pyrimidin-5-yl-1,2,4-oxadiazole-3-carboxylic acid?
The IUPAC name of 5-pyrimidin-5-yl-1,2,4-oxadiazole-3-carboxylic acid (CID 102922619) is 5-pyrimidin-5-yl-1,2,4-oxadiazole-3-carboxylic acid.
What is the SMILES notation for 5-pyrimidin-5-yl-1,2,4-oxadiazole-3-carboxylic acid?
The canonical SMILES for 5-pyrimidin-5-yl-1,2,4-oxadiazole-3-carboxylic acid is O=C(O)c1noc(-c2cncnc2)n1.
What is the InChIKey of 5-pyrimidin-5-yl-1,2,4-oxadiazole-3-carboxylic acid?
The InChIKey is CLDREQMXGHUOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N4O3/c12-7(13)5-10-6(14-11-5)4-1-8-3-9-2-4/h1-3H,(H,12,13).
What are the key properties of 5-pyrimidin-5-yl-1,2,4-oxadiazole-3-carboxylic acid?
5-pyrimidin-5-yl-1,2,4-oxadiazole-3-carboxylic acid has a molecular weight of 192.13 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrimidin-5-yl-1,2,4-oxadiazole-3-carboxylic acid is sourced from PubChem (CID 102922619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).