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

C11H9NO3 — CID 2776514

IUPAC3-methyl-5-phenyl-1,2-oxazole-4-carboxylic acid
SMILESCc1noc(-c2ccccc2)c1C(=O)O
InChIInChI=1S/C11H9NO3/c1-7-9(11(13)14)10(15-12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,13,14)
InChIKeyGLNQCTGGLIXRRJ-UHFFFAOYSA-N
MW203.20 g/mol
LogP2.35
Rot. Bonds2

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

3-methyl-5-phenyl-1,2-oxazole-4-carboxylic acid (PubChem CID 2776514) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 3-methyl-5-phenyl-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-phenyl-1,2-oxazole-4-carboxylic acid
PubChem CID2776514
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name3-methyl-5-phenyl-1,2-oxazole-4-carboxylic acid
SMILESCc1noc(-c2ccccc2)c1C(=O)O
InChIInChI=1S/C11H9NO3/c1-7-9(11(13)14)10(15-12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,13,14)
InChIKeyGLNQCTGGLIXRRJ-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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Related Compounds

5-Methyl-3-phenylisoxazole-4-carboxylic acid
CID 14343
3,5-Dimethyl-4-phenylisoxazole
CID 5325760
(5-Phenyl-1,2-oxazol-3-yl)methanol
CID 1481082
3-Methyl-5-phenylisoxazole
CID 136804
5-Phenyl-3-isoxazolecarboxylic acid
CID 151916
Methyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 727920
3-Phenylisoxazole-5-carboxylic Acid
CID 737474
3',5-Dimethyl-3,5'-biisoxazole-4'-carboxylic acid
CID 2744621
5-(4-Fluorophenyl)-1,2-oxazole-3-carboxylic acid
CID 1096392
4-Isoxazolecarboxylic acid, 3-(2-chlorophenyl)-5-methyl-
CID 90203
2-Oxo-2-phenylethyl 5-methyl-3-phenylisoxazole-4-carboxylate
CID 569192
Methyl 3,5-diphenyl-1,2-oxazole-4-carboxylate
CID 827480

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-phenyl-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 3-methyl-5-phenyl-1,2-oxazole-4-carboxylic acid (CID 2776514) is 3-methyl-5-phenyl-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 3-methyl-5-phenyl-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 3-methyl-5-phenyl-1,2-oxazole-4-carboxylic acid is Cc1noc(-c2ccccc2)c1C(=O)O.
What is the InChIKey of 3-methyl-5-phenyl-1,2-oxazole-4-carboxylic acid?
The InChIKey is GLNQCTGGLIXRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c1-7-9(11(13)14)10(15-12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,13,14).
What are the key properties of 3-methyl-5-phenyl-1,2-oxazole-4-carboxylic acid?
3-methyl-5-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 3-methyl-5-phenyl-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 2776514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).