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

C11H9NO3 — CID 15630344

IUPAC2-methyl-5-phenyl-1,3-oxazole-4-carboxylic acid
SMILESCc1nc(C(=O)O)c(-c2ccccc2)o1
InChIInChI=1S/C11H9NO3/c1-7-12-9(11(13)14)10(15-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,13,14)
InChIKeyGEAPKHXZFUKEDK-UHFFFAOYSA-N
MW203.20 g/mol
LogP2.35
Rot. Bonds2

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

2-methyl-5-phenyl-1,3-oxazole-4-carboxylic acid (PubChem CID 15630344) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 2-methyl-5-phenyl-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-phenyl-1,3-oxazole-4-carboxylic acid
PubChem CID15630344
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name2-methyl-5-phenyl-1,3-oxazole-4-carboxylic acid
SMILESCc1nc(C(=O)O)c(-c2ccccc2)o1
InChIInChI=1S/C11H9NO3/c1-7-12-9(11(13)14)10(15-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,13,14)
InChIKeyGEAPKHXZFUKEDK-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 2-methyl-5-phenyl-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-methyl-5-phenyl-1,3-oxazole-4-carboxylic acid (CID 15630344) is 2-methyl-5-phenyl-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-methyl-5-phenyl-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-methyl-5-phenyl-1,3-oxazole-4-carboxylic acid is Cc1nc(C(=O)O)c(-c2ccccc2)o1.
What is the InChIKey of 2-methyl-5-phenyl-1,3-oxazole-4-carboxylic acid?
The InChIKey is GEAPKHXZFUKEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c1-7-12-9(11(13)14)10(15-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,13,14).
What are the key properties of 2-methyl-5-phenyl-1,3-oxazole-4-carboxylic acid?
2-methyl-5-phenyl-1,3-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 2-methyl-5-phenyl-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 15630344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).