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

C11H9NO3 — CID 14343

IUPAC5-methyl-3-phenyl-1,2-oxazole-4-carboxylic acid
SMILESCc1onc(-c2ccccc2)c1C(=O)O
InChIInChI=1S/C11H9NO3/c1-7-9(11(13)14)10(12-15-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,13,14)
InChIKeyPENHKTNQUJMHIR-UHFFFAOYSA-N
MW203.20 g/mol
LogP2.35
Rot. Bonds2

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

5-methyl-3-phenyl-1,2-oxazole-4-carboxylic acid (PubChem CID 14343) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 5-methyl-3-phenyl-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-methyl-3-phenyl-1,2-oxazole-4-carboxylic acid
PubChem CID14343
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name5-methyl-3-phenyl-1,2-oxazole-4-carboxylic acid
SMILESCc1onc(-c2ccccc2)c1C(=O)O
InChIInChI=1S/C11H9NO3/c1-7-9(11(13)14)10(12-15-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,13,14)
InChIKeyPENHKTNQUJMHIR-UHFFFAOYSA-N
XLogP2.35
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-phenyl-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-methyl-3-phenyl-1,2-oxazole-4-carboxylic acid (CID 14343) is 5-methyl-3-phenyl-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-methyl-3-phenyl-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-methyl-3-phenyl-1,2-oxazole-4-carboxylic acid is Cc1onc(-c2ccccc2)c1C(=O)O.
What is the InChIKey of 5-methyl-3-phenyl-1,2-oxazole-4-carboxylic acid?
The InChIKey is PENHKTNQUJMHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c1-7-9(11(13)14)10(12-15-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,13,14).
What are the key properties of 5-methyl-3-phenyl-1,2-oxazole-4-carboxylic acid?
5-methyl-3-phenyl-1,2-oxazole-4-carboxylic acid has a molecular weight of 203.20 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-phenyl-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 14343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).