1H-imidazole;oxalic acid

C5H6N2O4 — CID 19829572

IUPAC1H-imidazole;oxalic acid
SMILESO=C(O)C(=O)O.c1c[nH]cn1
InChIInChI=1S/C3H4N2.C2H2O4/c1-2-5-3-4-1;3-1(4)2(5)6/h1-3H,(H,4,5);(H,3,4)(H,5,6)
InChIKeyGPUZWNNASIXLTQ-UHFFFAOYSA-N
MW158.11 g/mol
LogP-0.43
Rot. Bonds

About 1H-imidazole;oxalic acid

1H-imidazole;oxalic acid (PubChem CID 19829572) has the molecular formula C5H6N2O4 and a molecular weight of 158.11 g/mol. Its IUPAC name is 1H-imidazole;oxalic acid.

Molecular Properties

Compound Name1H-imidazole;oxalic acid
PubChem CID19829572
Molecular FormulaC5H6N2O4
Molecular Weight158.11 g/mol
Exact Mass158.03
IUPAC Name1H-imidazole;oxalic acid
SMILESO=C(O)C(=O)O.c1c[nH]cn1
InChIInChI=1S/C3H4N2.C2H2O4/c1-2-5-3-4-1;3-1(4)2(5)6/h1-3H,(H,4,5);(H,3,4)(H,5,6)
InChIKeyGPUZWNNASIXLTQ-UHFFFAOYSA-N
XLogP-0.43
TPSA103.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.11
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1H-Imidazole-2-carboxylic acid
CID 574321
1H-imidazole-2-carboxylic acid hydrochloride
CID 53230923
2-(1H-imidazol-3-ium-3-yl)acetate
CID 71771693
Imidazole-2-acetic acid
CID 17935379
Imidazole acetate
CID 18411416
Imidazolium Trifluoroacetate
CID 67183781
1-Methylimidazolium trifluoroacetate
CID 11636995
Imidazole, 2-acetoxy-
CID 558451
2-(1H-imidazol-2-ylamino)acetic acid
CID 17936813
1H-imidazole 2,2,2-trifluoroacetate
CID 24209753
((1H-imidazol-2-yl)carbamoyl)formic acid hydrochloride
CID 137952078
1H-imidazole;propanoic acid
CID 21250915

Frequently Asked Questions

What is the IUPAC name of 1H-imidazole;oxalic acid?
The IUPAC name of 1H-imidazole;oxalic acid (CID 19829572) is 1H-imidazole;oxalic acid.
What is the SMILES notation for 1H-imidazole;oxalic acid?
The canonical SMILES for 1H-imidazole;oxalic acid is O=C(O)C(=O)O.c1c[nH]cn1.
What is the InChIKey of 1H-imidazole;oxalic acid?
The InChIKey is GPUZWNNASIXLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2.C2H2O4/c1-2-5-3-4-1;3-1(4)2(5)6/h1-3H,(H,4,5);(H,3,4)(H,5,6).
What are the key properties of 1H-imidazole;oxalic acid?
1H-imidazole;oxalic acid has a molecular weight of 158.11 g/mol, XLogP of -0.43, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazole;oxalic acid is sourced from PubChem (CID 19829572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).