3-(1,2-oxazole-5-carbonylamino)benzoic acid

C11H8N2O4 — CID 2812099

IUPAC3-(1,2-oxazole-5-carbonylamino)benzoic acid
SMILESO=C(O)c1cccc(NC(=O)c2ccno2)c1
InChIInChI=1S/C11H8N2O4/c14-10(9-4-5-12-17-9)13-8-3-1-2-7(6-8)11(15)16/h1-6H,(H,13,14)(H,15,16)
InChIKeyQBMMJAQLERTXMD-UHFFFAOYSA-N
MW232.20 g/mol
LogP1.63
Rot. Bonds3

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

3-(1,2-oxazole-5-carbonylamino)benzoic acid (PubChem CID 2812099) has the molecular formula C11H8N2O4 and a molecular weight of 232.20 g/mol. Its IUPAC name is 3-(1,2-oxazole-5-carbonylamino)benzoic acid.

Molecular Properties

Compound Name3-(1,2-oxazole-5-carbonylamino)benzoic acid
PubChem CID2812099
Molecular FormulaC11H8N2O4
Molecular Weight232.20 g/mol
Exact Mass232.05
IUPAC Name3-(1,2-oxazole-5-carbonylamino)benzoic acid
SMILESO=C(O)c1cccc(NC(=O)c2ccno2)c1
InChIInChI=1S/C11H8N2O4/c14-10(9-4-5-12-17-9)13-8-3-1-2-7(6-8)11(15)16/h1-6H,(H,13,14)(H,15,16)
InChIKeyQBMMJAQLERTXMD-UHFFFAOYSA-N
XLogP1.63
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2-oxazole-5-carbonylamino)benzoic acid?
The IUPAC name of 3-(1,2-oxazole-5-carbonylamino)benzoic acid (CID 2812099) is 3-(1,2-oxazole-5-carbonylamino)benzoic acid.
What is the SMILES notation for 3-(1,2-oxazole-5-carbonylamino)benzoic acid?
The canonical SMILES for 3-(1,2-oxazole-5-carbonylamino)benzoic acid is O=C(O)c1cccc(NC(=O)c2ccno2)c1.
What is the InChIKey of 3-(1,2-oxazole-5-carbonylamino)benzoic acid?
The InChIKey is QBMMJAQLERTXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O4/c14-10(9-4-5-12-17-9)13-8-3-1-2-7(6-8)11(15)16/h1-6H,(H,13,14)(H,15,16).
What are the key properties of 3-(1,2-oxazole-5-carbonylamino)benzoic acid?
3-(1,2-oxazole-5-carbonylamino)benzoic acid has a molecular weight of 232.20 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-oxazole-5-carbonylamino)benzoic acid is sourced from PubChem (CID 2812099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).