5-(1,2-oxazole-5-carbonylamino)benzene-1,3-dicarboxylic acid

C12H8N2O6 — CID 60845787

IUPAC5-(1,2-oxazole-5-carbonylamino)benzene-1,3-dicarboxylic acid
SMILESO=C(O)c1cc(NC(=O)c2ccno2)cc(C(=O)O)c1
InChIInChI=1S/C12H8N2O6/c15-10(9-1-2-13-20-9)14-8-4-6(11(16)17)3-7(5-8)12(18)19/h1-5H,(H,14,15)(H,16,17)(H,18,19)
InChIKeySEZPPCGDTWNEBG-UHFFFAOYSA-N
MW276.20 g/mol
LogP1.32
Rot. Bonds4

About 5-(1,2-oxazole-5-carbonylamino)benzene-1,3-dicarboxylic acid

5-(1,2-oxazole-5-carbonylamino)benzene-1,3-dicarboxylic acid (PubChem CID 60845787) has the molecular formula C12H8N2O6 and a molecular weight of 276.20 g/mol. Its IUPAC name is 5-(1,2-oxazole-5-carbonylamino)benzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name5-(1,2-oxazole-5-carbonylamino)benzene-1,3-dicarboxylic acid
PubChem CID60845787
Molecular FormulaC12H8N2O6
Molecular Weight276.20 g/mol
Exact Mass276.04
IUPAC Name5-(1,2-oxazole-5-carbonylamino)benzene-1,3-dicarboxylic acid
SMILESO=C(O)c1cc(NC(=O)c2ccno2)cc(C(=O)O)c1
InChIInChI=1S/C12H8N2O6/c15-10(9-1-2-13-20-9)14-8-4-6(11(16)17)3-7(5-8)12(18)19/h1-5H,(H,14,15)(H,16,17)(H,18,19)
InChIKeySEZPPCGDTWNEBG-UHFFFAOYSA-N
XLogP1.32
TPSA129.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.20
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-(1,2-oxazole-5-carbonylamino)benzene-1,3-dicarboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(1,2-oxazole-5-carbonylamino)benzene-1,3-dicarboxylic acid?
The IUPAC name of 5-(1,2-oxazole-5-carbonylamino)benzene-1,3-dicarboxylic acid (CID 60845787) is 5-(1,2-oxazole-5-carbonylamino)benzene-1,3-dicarboxylic acid.
What is the SMILES notation for 5-(1,2-oxazole-5-carbonylamino)benzene-1,3-dicarboxylic acid?
The canonical SMILES for 5-(1,2-oxazole-5-carbonylamino)benzene-1,3-dicarboxylic acid is O=C(O)c1cc(NC(=O)c2ccno2)cc(C(=O)O)c1.
What is the InChIKey of 5-(1,2-oxazole-5-carbonylamino)benzene-1,3-dicarboxylic acid?
The InChIKey is SEZPPCGDTWNEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O6/c15-10(9-1-2-13-20-9)14-8-4-6(11(16)17)3-7(5-8)12(18)19/h1-5H,(H,14,15)(H,16,17)(H,18,19).
What are the key properties of 5-(1,2-oxazole-5-carbonylamino)benzene-1,3-dicarboxylic acid?
5-(1,2-oxazole-5-carbonylamino)benzene-1,3-dicarboxylic acid has a molecular weight of 276.20 g/mol, XLogP of 1.32, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2-oxazole-5-carbonylamino)benzene-1,3-dicarboxylic acid is sourced from PubChem (CID 60845787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).