2-[3-(3-ethoxyphenyl)-1,2-oxazol-4-yl]acetic acid

C13H13NO4 — CID 82295657

IUPAC2-[3-(3-ethoxyphenyl)-1,2-oxazol-4-yl]acetic acid
SMILESCCOc1cccc(-c2nocc2CC(=O)O)c1
InChIInChI=1S/C13H13NO4/c1-2-17-11-5-3-4-9(6-11)13-10(7-12(15)16)8-18-14-13/h3-6,8H,2,7H2,1H3,(H,15,16)
InChIKeyKKXTUHQDLOZLIZ-UHFFFAOYSA-N
MW247.25 g/mol
LogP2.37
Rot. Bonds5

About 2-[3-(3-ethoxyphenyl)-1,2-oxazol-4-yl]acetic acid

2-[3-(3-ethoxyphenyl)-1,2-oxazol-4-yl]acetic acid (PubChem CID 82295657) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is 2-[3-(3-ethoxyphenyl)-1,2-oxazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(3-ethoxyphenyl)-1,2-oxazol-4-yl]acetic acid
PubChem CID82295657
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Name2-[3-(3-ethoxyphenyl)-1,2-oxazol-4-yl]acetic acid
SMILESCCOc1cccc(-c2nocc2CC(=O)O)c1
InChIInChI=1S/C13H13NO4/c1-2-17-11-5-3-4-9(6-11)13-10(7-12(15)16)8-18-14-13/h3-6,8H,2,7H2,1H3,(H,15,16)
InChIKeyKKXTUHQDLOZLIZ-UHFFFAOYSA-N
XLogP2.37
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetic acid
CID 62957229
[3-(3-ethoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanol
CID 82128981
2-[5-(3-ethoxyphenyl)-1H-indol-3-yl]acetic acid
CID 142424412
2-[4-[(3-ethoxyphenoxy)methyl]phenyl]acetic acid
CID 105344950
2-(3-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 82271897
3-(3-ethoxyphenyl)-2-methylbenzoic acid
CID 53226301
2-[2-(3-ethoxyphenyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid
CID 94707671
3-(3-ethoxyphenyl)-1H-indazole-6-carboxylic acid
CID 170838850
3-[3-(3-ethoxyphenyl)-6-oxo-1H-pyridazin-5-yl]propanoic acid
CID 82445963
2-(3-ethoxyphenyl)-1H-imidazole-5-carboxylic acid
CID 62252661
2-[2-(3-ethoxyphenyl)-5,7-dimethyl-1H-indol-3-yl]acetic acid
CID 4306468
2-[3-(5-ethoxycarbonyl-2H-triazol-4-yl)phenoxy]acetic acid
CID 169400608

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-ethoxyphenyl)-1,2-oxazol-4-yl]acetic acid?
The IUPAC name of 2-[3-(3-ethoxyphenyl)-1,2-oxazol-4-yl]acetic acid (CID 82295657) is 2-[3-(3-ethoxyphenyl)-1,2-oxazol-4-yl]acetic acid.
What is the SMILES notation for 2-[3-(3-ethoxyphenyl)-1,2-oxazol-4-yl]acetic acid?
The canonical SMILES for 2-[3-(3-ethoxyphenyl)-1,2-oxazol-4-yl]acetic acid is CCOc1cccc(-c2nocc2CC(=O)O)c1.
What is the InChIKey of 2-[3-(3-ethoxyphenyl)-1,2-oxazol-4-yl]acetic acid?
The InChIKey is KKXTUHQDLOZLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c1-2-17-11-5-3-4-9(6-11)13-10(7-12(15)16)8-18-14-13/h3-6,8H,2,7H2,1H3,(H,15,16).
What are the key properties of 2-[3-(3-ethoxyphenyl)-1,2-oxazol-4-yl]acetic acid?
2-[3-(3-ethoxyphenyl)-1,2-oxazol-4-yl]acetic acid has a molecular weight of 247.25 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-ethoxyphenyl)-1,2-oxazol-4-yl]acetic acid is sourced from PubChem (CID 82295657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).