2-phenyl-1,3-oxazole-4,5-dicarboxylic acid

C11H7NO5 — CID 10955452

IUPAC2-phenyl-1,3-oxazole-4,5-dicarboxylic acid
SMILESO=C(O)c1nc(-c2ccccc2)oc1C(=O)O
InChIInChI=1S/C11H7NO5/c13-10(14)7-8(11(15)16)17-9(12-7)6-4-2-1-3-5-6/h1-5H,(H,13,14)(H,15,16)
InChIKeyYRGAADYUKSMBJS-UHFFFAOYSA-N
MW233.18 g/mol
LogP1.74
Rot. Bonds3

About 2-phenyl-1,3-oxazole-4,5-dicarboxylic acid

2-phenyl-1,3-oxazole-4,5-dicarboxylic acid (PubChem CID 10955452) has the molecular formula C11H7NO5 and a molecular weight of 233.18 g/mol. Its IUPAC name is 2-phenyl-1,3-oxazole-4,5-dicarboxylic acid.

Molecular Properties

Compound Name2-phenyl-1,3-oxazole-4,5-dicarboxylic acid
PubChem CID10955452
Molecular FormulaC11H7NO5
Molecular Weight233.18 g/mol
Exact Mass233.03
IUPAC Name2-phenyl-1,3-oxazole-4,5-dicarboxylic acid
SMILESO=C(O)c1nc(-c2ccccc2)oc1C(=O)O
InChIInChI=1S/C11H7NO5/c13-10(14)7-8(11(15)16)17-9(12-7)6-4-2-1-3-5-6/h1-5H,(H,13,14)(H,15,16)
InChIKeyYRGAADYUKSMBJS-UHFFFAOYSA-N
XLogP1.74
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.18
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1,3-oxazole-4,5-dicarboxylic acid?
The IUPAC name of 2-phenyl-1,3-oxazole-4,5-dicarboxylic acid (CID 10955452) is 2-phenyl-1,3-oxazole-4,5-dicarboxylic acid.
What is the SMILES notation for 2-phenyl-1,3-oxazole-4,5-dicarboxylic acid?
The canonical SMILES for 2-phenyl-1,3-oxazole-4,5-dicarboxylic acid is O=C(O)c1nc(-c2ccccc2)oc1C(=O)O.
What is the InChIKey of 2-phenyl-1,3-oxazole-4,5-dicarboxylic acid?
The InChIKey is YRGAADYUKSMBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NO5/c13-10(14)7-8(11(15)16)17-9(12-7)6-4-2-1-3-5-6/h1-5H,(H,13,14)(H,15,16).
What are the key properties of 2-phenyl-1,3-oxazole-4,5-dicarboxylic acid?
2-phenyl-1,3-oxazole-4,5-dicarboxylic acid has a molecular weight of 233.18 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1,3-oxazole-4,5-dicarboxylic acid is sourced from PubChem (CID 10955452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).