4-(hydroxymethyl)-1,2,5-oxadiazole-3-carboxylic acid

C4H4N2O4 — CID 18993410

IUPAC4-(hydroxymethyl)-1,2,5-oxadiazole-3-carboxylic acid
SMILESO=C(O)c1nonc1CO
InChIInChI=1S/C4H4N2O4/c7-1-2-3(4(8)9)6-10-5-2/h7H,1H2,(H,8,9)
InChIKeyKARWJKFMHIOFPB-UHFFFAOYSA-N
MW144.09 g/mol
LogP-0.74
Rot. Bonds2

About 4-(hydroxymethyl)-1,2,5-oxadiazole-3-carboxylic acid

4-(hydroxymethyl)-1,2,5-oxadiazole-3-carboxylic acid (PubChem CID 18993410) has the molecular formula C4H4N2O4 and a molecular weight of 144.09 g/mol. Its IUPAC name is 4-(hydroxymethyl)-1,2,5-oxadiazole-3-carboxylic acid.

Molecular Properties

Compound Name4-(hydroxymethyl)-1,2,5-oxadiazole-3-carboxylic acid
PubChem CID18993410
Molecular FormulaC4H4N2O4
Molecular Weight144.09 g/mol
Exact Mass144.02
IUPAC Name4-(hydroxymethyl)-1,2,5-oxadiazole-3-carboxylic acid
SMILESO=C(O)c1nonc1CO
InChIInChI=1S/C4H4N2O4/c7-1-2-3(4(8)9)6-10-5-2/h7H,1H2,(H,8,9)
InChIKeyKARWJKFMHIOFPB-UHFFFAOYSA-N
XLogP-0.74
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.09
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-1,2,5-oxadiazole-3-carboxylic acid?
The IUPAC name of 4-(hydroxymethyl)-1,2,5-oxadiazole-3-carboxylic acid (CID 18993410) is 4-(hydroxymethyl)-1,2,5-oxadiazole-3-carboxylic acid.
What is the SMILES notation for 4-(hydroxymethyl)-1,2,5-oxadiazole-3-carboxylic acid?
The canonical SMILES for 4-(hydroxymethyl)-1,2,5-oxadiazole-3-carboxylic acid is O=C(O)c1nonc1CO.
What is the InChIKey of 4-(hydroxymethyl)-1,2,5-oxadiazole-3-carboxylic acid?
The InChIKey is KARWJKFMHIOFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O4/c7-1-2-3(4(8)9)6-10-5-2/h7H,1H2,(H,8,9).
What are the key properties of 4-(hydroxymethyl)-1,2,5-oxadiazole-3-carboxylic acid?
4-(hydroxymethyl)-1,2,5-oxadiazole-3-carboxylic acid has a molecular weight of 144.09 g/mol, XLogP of -0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-1,2,5-oxadiazole-3-carboxylic acid is sourced from PubChem (CID 18993410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).