2-phenyl-1,3-oxazole-4-carboxylic acid

C10H7NO3 — CID 1234752

IUPAC2-phenyl-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(-c2ccccc2)n1
InChIInChI=1S/C10H7NO3/c12-10(13)8-6-14-9(11-8)7-4-2-1-3-5-7/h1-6H,(H,12,13)
InChIKeyKQRWYYSDIFOTTP-UHFFFAOYSA-N
MW189.17 g/mol
LogP2.04
Rot. Bonds2

About 2-phenyl-1,3-oxazole-4-carboxylic acid

2-phenyl-1,3-oxazole-4-carboxylic acid (PubChem CID 1234752) has the molecular formula C10H7NO3 and a molecular weight of 189.17 g/mol. Its IUPAC name is 2-phenyl-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-phenyl-1,3-oxazole-4-carboxylic acid
PubChem CID1234752
Molecular FormulaC10H7NO3
Molecular Weight189.17 g/mol
Exact Mass189.04
IUPAC Name2-phenyl-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(-c2ccccc2)n1
InChIInChI=1S/C10H7NO3/c12-10(13)8-6-14-9(11-8)7-4-2-1-3-5-7/h1-6H,(H,12,13)
InChIKeyKQRWYYSDIFOTTP-UHFFFAOYSA-N
XLogP2.04
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-phenyl-1,3-oxazole-4-carboxylic acid (CID 1234752) is 2-phenyl-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-phenyl-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-phenyl-1,3-oxazole-4-carboxylic acid is O=C(O)c1coc(-c2ccccc2)n1.
What is the InChIKey of 2-phenyl-1,3-oxazole-4-carboxylic acid?
The InChIKey is KQRWYYSDIFOTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO3/c12-10(13)8-6-14-9(11-8)7-4-2-1-3-5-7/h1-6H,(H,12,13).
What are the key properties of 2-phenyl-1,3-oxazole-4-carboxylic acid?
2-phenyl-1,3-oxazole-4-carboxylic acid has a molecular weight of 189.17 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 1234752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).