2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)acetic acid

C4H4N2O4 — CID 135421447

IUPAC2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)acetic acid
SMILESO=C(O)Cc1noc(=O)[nH]1
InChIInChI=1S/C4H4N2O4/c7-3(8)1-2-5-4(9)10-6-2/h1H2,(H,7,8)(H,5,6,9)
InChIKeyZHTASSDRQKMHOB-UHFFFAOYSA-N
MW144.09 g/mol
LogP-1.01
Rot. Bonds2

About 2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)acetic acid

2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)acetic acid (PubChem CID 135421447) has the molecular formula C4H4N2O4 and a molecular weight of 144.09 g/mol. Its IUPAC name is 2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)acetic acid
PubChem CID135421447
Molecular FormulaC4H4N2O4
Molecular Weight144.09 g/mol
Exact Mass144.02
IUPAC Name2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)acetic acid
SMILESO=C(O)Cc1noc(=O)[nH]1
InChIInChI=1S/C4H4N2O4/c7-3(8)1-2-5-4(9)10-6-2/h1H2,(H,7,8)(H,5,6,9)
InChIKeyZHTASSDRQKMHOB-UHFFFAOYSA-N
XLogP-1.01
TPSA96.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.09
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)acetic acid?
The IUPAC name of 2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)acetic acid (CID 135421447) is 2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)acetic acid.
What is the SMILES notation for 2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)acetic acid?
The canonical SMILES for 2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)acetic acid is O=C(O)Cc1noc(=O)[nH]1.
What is the InChIKey of 2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)acetic acid?
The InChIKey is ZHTASSDRQKMHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O4/c7-3(8)1-2-5-4(9)10-6-2/h1H2,(H,7,8)(H,5,6,9).
What are the key properties of 2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)acetic acid?
2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)acetic acid has a molecular weight of 144.09 g/mol, XLogP of -1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)acetic acid is sourced from PubChem (CID 135421447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).