5-(3-ethyl-4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid

C13H13NO4 — CID 82295690

IUPAC5-(3-ethyl-4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
SMILESCCc1cc(-c2oncc2C(=O)O)ccc1OC
InChIInChI=1S/C13H13NO4/c1-3-8-6-9(4-5-11(8)17-2)12-10(13(15)16)7-14-18-12/h4-7H,3H2,1-2H3,(H,15,16)
InChIKeyASQIADDTZSYKLQ-UHFFFAOYSA-N
MW247.25 g/mol
LogP2.61
Rot. Bonds4

About 5-(3-ethyl-4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid

5-(3-ethyl-4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid (PubChem CID 82295690) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is 5-(3-ethyl-4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(3-ethyl-4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
PubChem CID82295690
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Name5-(3-ethyl-4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
SMILESCCc1cc(-c2oncc2C(=O)O)ccc1OC
InChIInChI=1S/C13H13NO4/c1-3-8-6-9(4-5-11(8)17-2)12-10(13(15)16)7-14-18-12/h4-7H,3H2,1-2H3,(H,15,16)
InChIKeyASQIADDTZSYKLQ-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-chloro-4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 82298585
[5-(3-ethyl-4-methoxyphenyl)-1,2-oxazol-4-yl]methanamine
CID 82289626
5-(5-bromo-2-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 82308210
5-(5-fluoro-2-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 82291793
5-[3-(aminomethyl)phenyl]-1,2-oxazole-4-carboxylic acid
CID 150308140
5-(4-methyl-3-nitrophenyl)-1,2-oxazole-4-carboxylic acid
CID 114317835
[5-(3,4-dimethoxyphenyl)-1,2-oxazol-4-yl]methanamine
CID 82290574
4-(3-ethyl-4-methoxyphenyl)-5-methylthiophene-2-carboxylic acid
CID 94285195
5-(3-ethyl-4-methoxyphenyl)-1H-pyrazole-4-carbaldehyde
CID 71565110
5-(furan-3-yl)-1,2-oxazole-4-carboxylic acid
CID 75356057
4-bromo-3-(3-ethyl-4-methoxyphenyl)-1-methylpyrazole-5-carboxylic acid
CID 116858418
5-(3-ethyl-4-methoxyphenyl)-1,3-oxazol-2-amine
CID 82285421

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethyl-4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-(3-ethyl-4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid (CID 82295690) is 5-(3-ethyl-4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-(3-ethyl-4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-(3-ethyl-4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid is CCc1cc(-c2oncc2C(=O)O)ccc1OC.
What is the InChIKey of 5-(3-ethyl-4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid?
The InChIKey is ASQIADDTZSYKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c1-3-8-6-9(4-5-11(8)17-2)12-10(13(15)16)7-14-18-12/h4-7H,3H2,1-2H3,(H,15,16).
What are the key properties of 5-(3-ethyl-4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid?
5-(3-ethyl-4-methoxyphenyl)-1,2-oxazole-4-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-4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 82295690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).