2-[5-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-3-yl]acetic acid

C13H15NO4 — CID 82087088

IUPAC2-[5-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-3-yl]acetic acid
SMILESCCc1ccc(C2CN(CC(=O)O)C(=O)O2)cc1
InChIInChI=1S/C13H15NO4/c1-2-9-3-5-10(6-4-9)11-7-14(8-12(15)16)13(17)18-11/h3-6,11H,2,7-8H2,1H3,(H,15,16)
InChIKeyNYCXUMCIDUNSNI-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.83
Rot. Bonds4

About 2-[5-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-3-yl]acetic acid

2-[5-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-3-yl]acetic acid (PubChem CID 82087088) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-[5-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-3-yl]acetic acid
PubChem CID82087088
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name2-[5-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-3-yl]acetic acid
SMILESCCc1ccc(C2CN(CC(=O)O)C(=O)O2)cc1
InChIInChI=1S/C13H15NO4/c1-2-9-3-5-10(6-4-9)11-7-14(8-12(15)16)13(17)18-11/h3-6,11H,2,7-8H2,1H3,(H,15,16)
InChIKeyNYCXUMCIDUNSNI-UHFFFAOYSA-N
XLogP1.83
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-3-yl]acetic acid?
The IUPAC name of 2-[5-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-3-yl]acetic acid (CID 82087088) is 2-[5-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-3-yl]acetic acid.
What is the SMILES notation for 2-[5-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-3-yl]acetic acid?
The canonical SMILES for 2-[5-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-3-yl]acetic acid is CCc1ccc(C2CN(CC(=O)O)C(=O)O2)cc1.
What is the InChIKey of 2-[5-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-3-yl]acetic acid?
The InChIKey is NYCXUMCIDUNSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c1-2-9-3-5-10(6-4-9)11-7-14(8-12(15)16)13(17)18-11/h3-6,11H,2,7-8H2,1H3,(H,15,16).
What are the key properties of 2-[5-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-3-yl]acetic acid?
2-[5-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-3-yl]acetic acid has a molecular weight of 249.27 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-3-yl]acetic acid is sourced from PubChem (CID 82087088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).