5-oxo-3-phenyl-2H-1,2-oxazole-4-carboxylic acid

C10H7NO4 — CID 45117097

IUPAC5-oxo-3-phenyl-2H-1,2-oxazole-4-carboxylic acid
SMILESO=C(O)c1c(-c2ccccc2)[nH]oc1=O
InChIInChI=1S/C10H7NO4/c12-9(13)7-8(11-15-10(7)14)6-4-2-1-3-5-6/h1-5,11H,(H,12,13)
InChIKeyTVRRJFOWSUQKDI-UHFFFAOYSA-N
MW205.17 g/mol
LogP1.33
Rot. Bonds2

About 5-oxo-3-phenyl-2H-1,2-oxazole-4-carboxylic acid

5-oxo-3-phenyl-2H-1,2-oxazole-4-carboxylic acid (PubChem CID 45117097) has the molecular formula C10H7NO4 and a molecular weight of 205.17 g/mol. Its IUPAC name is 5-oxo-3-phenyl-2H-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-oxo-3-phenyl-2H-1,2-oxazole-4-carboxylic acid
PubChem CID45117097
Molecular FormulaC10H7NO4
Molecular Weight205.17 g/mol
Exact Mass205.04
IUPAC Name5-oxo-3-phenyl-2H-1,2-oxazole-4-carboxylic acid
SMILESO=C(O)c1c(-c2ccccc2)[nH]oc1=O
InChIInChI=1S/C10H7NO4/c12-9(13)7-8(11-15-10(7)14)6-4-2-1-3-5-6/h1-5,11H,(H,12,13)
InChIKeyTVRRJFOWSUQKDI-UHFFFAOYSA-N
XLogP1.33
TPSA83.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-3-phenyl-2H-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-oxo-3-phenyl-2H-1,2-oxazole-4-carboxylic acid (CID 45117097) is 5-oxo-3-phenyl-2H-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-oxo-3-phenyl-2H-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-oxo-3-phenyl-2H-1,2-oxazole-4-carboxylic acid is O=C(O)c1c(-c2ccccc2)[nH]oc1=O.
What is the InChIKey of 5-oxo-3-phenyl-2H-1,2-oxazole-4-carboxylic acid?
The InChIKey is TVRRJFOWSUQKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO4/c12-9(13)7-8(11-15-10(7)14)6-4-2-1-3-5-6/h1-5,11H,(H,12,13).
What are the key properties of 5-oxo-3-phenyl-2H-1,2-oxazole-4-carboxylic acid?
5-oxo-3-phenyl-2H-1,2-oxazole-4-carboxylic acid has a molecular weight of 205.17 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-3-phenyl-2H-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 45117097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).