oxalic acid;1,3-oxazole-4,5-dicarboxylic acid

C7H5NO9 — CID 175333837

IUPACoxalic acid;1,3-oxazole-4,5-dicarboxylic acid
SMILESO=C(O)C(=O)O.O=C(O)c1ncoc1C(=O)O
InChIInChI=1S/C5H3NO5.C2H2O4/c7-4(8)2-3(5(9)10)11-1-6-2;3-1(4)2(5)6/h1H,(H,7,8)(H,9,10);(H,3,4)(H,5,6)
InChIKeyWVTPJRKXEMWIEY-UHFFFAOYSA-N
MW247.11 g/mol
LogP-0.77
Rot. Bonds2

About oxalic acid;1,3-oxazole-4,5-dicarboxylic acid

oxalic acid;1,3-oxazole-4,5-dicarboxylic acid (PubChem CID 175333837) has the molecular formula C7H5NO9 and a molecular weight of 247.11 g/mol. Its IUPAC name is oxalic acid;1,3-oxazole-4,5-dicarboxylic acid.

Molecular Properties

Compound Nameoxalic acid;1,3-oxazole-4,5-dicarboxylic acid
PubChem CID175333837
Molecular FormulaC7H5NO9
Molecular Weight247.11 g/mol
Exact Mass247.00
IUPAC Nameoxalic acid;1,3-oxazole-4,5-dicarboxylic acid
SMILESO=C(O)C(=O)O.O=C(O)c1ncoc1C(=O)O
InChIInChI=1S/C5H3NO5.C2H2O4/c7-4(8)2-3(5(9)10)11-1-6-2;3-1(4)2(5)6/h1H,(H,7,8)(H,9,10);(H,3,4)(H,5,6)
InChIKeyWVTPJRKXEMWIEY-UHFFFAOYSA-N
XLogP-0.77
TPSA175.23 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.11
LogP ≤ 5-0.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-Methyl-1,3-oxazole-5-carboxylic acid
CID 292311
5-methyl-1,3-oxazole-4-carboxylic Acid
CID 11355484
4-(Difluoromethyl)-1,3-oxazole-5-carboxylic acid
CID 124250994
4-(Trifluoromethyl)-1,3-oxazole-5-carboxylic acid
CID 21611528
2-{[4-(Methoxycarbonyl)-1,3-oxazol-5-yl]methoxy}acetic acid
CID 121553582
Diethyl 1,3-oxazole-4,5-dicarboxylate
CID 134868786
Dimethyl 1,3-oxazole-4,5-dicarboxylate
CID 819934
Ethyl 5-(methoxymethyl)oxazole-4-carboxylate
CID 61633427
2-[(4-Ethoxycarbonyl-1,3-oxazol-5-yl)methoxy]acetic acid
CID 166447056
5-(2,2,2-Trifluoroethoxymethyl)-1,3-oxazole-4-carboxylic acid
CID 103211940
2-Methyl-1,3-oxazole-4,5-dicarboxylic acid
CID 19100564
1,3-Oxazole-4,5-dicarboxylic acid
CID 53876003

Frequently Asked Questions

What is the IUPAC name of oxalic acid;1,3-oxazole-4,5-dicarboxylic acid?
The IUPAC name of oxalic acid;1,3-oxazole-4,5-dicarboxylic acid (CID 175333837) is oxalic acid;1,3-oxazole-4,5-dicarboxylic acid.
What is the SMILES notation for oxalic acid;1,3-oxazole-4,5-dicarboxylic acid?
The canonical SMILES for oxalic acid;1,3-oxazole-4,5-dicarboxylic acid is O=C(O)C(=O)O.O=C(O)c1ncoc1C(=O)O.
What is the InChIKey of oxalic acid;1,3-oxazole-4,5-dicarboxylic acid?
The InChIKey is WVTPJRKXEMWIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3NO5.C2H2O4/c7-4(8)2-3(5(9)10)11-1-6-2;3-1(4)2(5)6/h1H,(H,7,8)(H,9,10);(H,3,4)(H,5,6).
What are the key properties of oxalic acid;1,3-oxazole-4,5-dicarboxylic acid?
oxalic acid;1,3-oxazole-4,5-dicarboxylic acid has a molecular weight of 247.11 g/mol, XLogP of -0.77, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;1,3-oxazole-4,5-dicarboxylic acid is sourced from PubChem (CID 175333837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).