3-(5-ethyl-2-methylphenyl)-1,2-oxazole-5-carboxylic acid

C13H13NO3 — CID 117333924

IUPAC3-(5-ethyl-2-methylphenyl)-1,2-oxazole-5-carboxylic acid
SMILESCCc1ccc(C)c(-c2cc(C(=O)O)on2)c1
InChIInChI=1S/C13H13NO3/c1-3-9-5-4-8(2)10(6-9)11-7-12(13(15)16)17-14-11/h4-7H,3H2,1-2H3,(H,15,16)
InChIKeyMOZHGXQJVRGVOL-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.91
Rot. Bonds3

About 3-(5-ethyl-2-methylphenyl)-1,2-oxazole-5-carboxylic acid

3-(5-ethyl-2-methylphenyl)-1,2-oxazole-5-carboxylic acid (PubChem CID 117333924) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 3-(5-ethyl-2-methylphenyl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(5-ethyl-2-methylphenyl)-1,2-oxazole-5-carboxylic acid
PubChem CID117333924
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name3-(5-ethyl-2-methylphenyl)-1,2-oxazole-5-carboxylic acid
SMILESCCc1ccc(C)c(-c2cc(C(=O)O)on2)c1
InChIInChI=1S/C13H13NO3/c1-3-9-5-4-8(2)10(6-9)11-7-12(13(15)16)17-14-11/h4-7H,3H2,1-2H3,(H,15,16)
InChIKeyMOZHGXQJVRGVOL-UHFFFAOYSA-N
XLogP2.91
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-bromo-2-methoxy-4-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117496611
3-(2-chloro-3-fluoro-4-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117391975
3-(4-bromo-2-ethylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117476922
3-(3-methyl-4-pyridinyl)-1,2-oxazole-5-carboxylic acid
CID 127020386
3-(2-bromo-3-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117452915
3-(3-methoxy-4-methyl-2-propan-2-ylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117440065
3-[3-[(dimethylamino)methyl]-2-hydroxy-4-methylphenyl]-1,2-oxazole-5-carboxylic acid
CID 136931967
3-(3,4-diethylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117364843
3-(2-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 136998648
3-[5-(2,2-dimethylpropyl)-2-methoxyphenyl]-1,2-oxazole-5-carboxylic acid
CID 117467353
3-(2,5-dimethoxy-4-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117411973
3-(6-chloro-2,3-dimethylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117382472

Frequently Asked Questions

What is the IUPAC name of 3-(5-ethyl-2-methylphenyl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(5-ethyl-2-methylphenyl)-1,2-oxazole-5-carboxylic acid (CID 117333924) is 3-(5-ethyl-2-methylphenyl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(5-ethyl-2-methylphenyl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(5-ethyl-2-methylphenyl)-1,2-oxazole-5-carboxylic acid is CCc1ccc(C)c(-c2cc(C(=O)O)on2)c1.
What is the InChIKey of 3-(5-ethyl-2-methylphenyl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is MOZHGXQJVRGVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-3-9-5-4-8(2)10(6-9)11-7-12(13(15)16)17-14-11/h4-7H,3H2,1-2H3,(H,15,16).
What are the key properties of 3-(5-ethyl-2-methylphenyl)-1,2-oxazole-5-carboxylic acid?
3-(5-ethyl-2-methylphenyl)-1,2-oxazole-5-carboxylic acid has a molecular weight of 231.25 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethyl-2-methylphenyl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 117333924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).