2-[2-(1,3-oxazol-2-yl)phenyl]-2-oxoacetic acid

C11H7NO4 — CID 117308845

IUPAC2-[2-(1,3-oxazol-2-yl)phenyl]-2-oxoacetic acid
SMILESO=C(O)C(=O)c1ccccc1-c1ncco1
InChIInChI=1S/C11H7NO4/c13-9(11(14)15)7-3-1-2-4-8(7)10-12-5-6-16-10/h1-6H,(H,14,15)
InChIKeyWQGFMFLWEJWHGI-UHFFFAOYSA-N
MW217.18 g/mol
LogP1.61
Rot. Bonds3

About 2-[2-(1,3-oxazol-2-yl)phenyl]-2-oxoacetic acid

2-[2-(1,3-oxazol-2-yl)phenyl]-2-oxoacetic acid (PubChem CID 117308845) has the molecular formula C11H7NO4 and a molecular weight of 217.18 g/mol. Its IUPAC name is 2-[2-(1,3-oxazol-2-yl)phenyl]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[2-(1,3-oxazol-2-yl)phenyl]-2-oxoacetic acid
PubChem CID117308845
Molecular FormulaC11H7NO4
Molecular Weight217.18 g/mol
Exact Mass217.04
IUPAC Name2-[2-(1,3-oxazol-2-yl)phenyl]-2-oxoacetic acid
SMILESO=C(O)C(=O)c1ccccc1-c1ncco1
InChIInChI=1S/C11H7NO4/c13-9(11(14)15)7-3-1-2-4-8(7)10-12-5-6-16-10/h1-6H,(H,14,15)
InChIKeyWQGFMFLWEJWHGI-UHFFFAOYSA-N
XLogP1.61
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.18
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-oxazol-2-yl)phenyl]-2-oxoacetic acid?
The IUPAC name of 2-[2-(1,3-oxazol-2-yl)phenyl]-2-oxoacetic acid (CID 117308845) is 2-[2-(1,3-oxazol-2-yl)phenyl]-2-oxoacetic acid.
What is the SMILES notation for 2-[2-(1,3-oxazol-2-yl)phenyl]-2-oxoacetic acid?
The canonical SMILES for 2-[2-(1,3-oxazol-2-yl)phenyl]-2-oxoacetic acid is O=C(O)C(=O)c1ccccc1-c1ncco1.
What is the InChIKey of 2-[2-(1,3-oxazol-2-yl)phenyl]-2-oxoacetic acid?
The InChIKey is WQGFMFLWEJWHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NO4/c13-9(11(14)15)7-3-1-2-4-8(7)10-12-5-6-16-10/h1-6H,(H,14,15).
What are the key properties of 2-[2-(1,3-oxazol-2-yl)phenyl]-2-oxoacetic acid?
2-[2-(1,3-oxazol-2-yl)phenyl]-2-oxoacetic acid has a molecular weight of 217.18 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-oxazol-2-yl)phenyl]-2-oxoacetic acid is sourced from PubChem (CID 117308845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).