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

C13H13NO4 — CID 117369791

IUPAC5-(3-ethyl-5-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
SMILESCCc1cc(OC)cc(-c2cc(C(=O)O)no2)c1
InChIInChI=1S/C13H13NO4/c1-3-8-4-9(6-10(5-8)17-2)12-7-11(13(15)16)14-18-12/h4-7H,3H2,1-2H3,(H,15,16)
InChIKeyWNTTUKNEKDFZBK-UHFFFAOYSA-N
MW247.25 g/mol
LogP2.61
Rot. Bonds4

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

5-(3-ethyl-5-methoxyphenyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 117369791) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is 5-(3-ethyl-5-methoxyphenyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(3-ethyl-5-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
PubChem CID117369791
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Name5-(3-ethyl-5-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
SMILESCCc1cc(OC)cc(-c2cc(C(=O)O)no2)c1
InChIInChI=1S/C13H13NO4/c1-3-8-4-9(6-10(5-8)17-2)12-7-11(13(15)16)14-18-12/h4-7H,3H2,1-2H3,(H,15,16)
InChIKeyWNTTUKNEKDFZBK-UHFFFAOYSA-N
XLogP2.61
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,5-difluoro-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117390409
5-(4-propoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 54846705
ethyl 5-(3-methoxyphenyl)-1,2-oxazole-3-carboxylate
CID 53439047
5-(3-fluoro-5-hydroxy-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117385107
5-[3-(2-methoxy-2-methylpropyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 115111159
5-(2,4-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 16792916
5-[4-(2-methoxy-2-methylpropyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 115111151
5-(3-tert-butyl-4-methoxy-5-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117467331
5-(4-methoxyphenyl)-1,2-oxazole-3-carbonyl chloride
CID 43840572
5-(3-bromo-4-hydroxy-5-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 136966306
5-(2-chloro-3-ethyl-5,6-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117496420
5-[(3-methoxyphenyl)methyl]-1,2-oxazole-3-carboxylic acid;hydrochloride
CID 70512473

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethyl-5-methoxyphenyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(3-ethyl-5-methoxyphenyl)-1,2-oxazole-3-carboxylic acid (CID 117369791) is 5-(3-ethyl-5-methoxyphenyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(3-ethyl-5-methoxyphenyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(3-ethyl-5-methoxyphenyl)-1,2-oxazole-3-carboxylic acid is CCc1cc(OC)cc(-c2cc(C(=O)O)no2)c1.
What is the InChIKey of 5-(3-ethyl-5-methoxyphenyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is WNTTUKNEKDFZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c1-3-8-4-9(6-10(5-8)17-2)12-7-11(13(15)16)14-18-12/h4-7H,3H2,1-2H3,(H,15,16).
What are the key properties of 5-(3-ethyl-5-methoxyphenyl)-1,2-oxazole-3-carboxylic acid?
5-(3-ethyl-5-methoxyphenyl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 247.25 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethyl-5-methoxyphenyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 117369791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).