5-[4-(2-methoxyethoxy)phenyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid

C13H15NO6 — CID 90123803

IUPAC5-[4-(2-methoxyethoxy)phenyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid
SMILESCOCCOc1ccc(C2OC(=O)NC2C(=O)O)cc1
InChIInChI=1S/C13H15NO6/c1-18-6-7-19-9-4-2-8(3-5-9)11-10(12(15)16)14-13(17)20-11/h2-5,10-11H,6-7H2,1H3,(H,14,17)(H,15,16)
InChIKeyRPICQPFPECEULH-UHFFFAOYSA-N
MW281.26 g/mol
LogP0.95
Rot. Bonds6

About 5-[4-(2-methoxyethoxy)phenyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid

5-[4-(2-methoxyethoxy)phenyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid (PubChem CID 90123803) has the molecular formula C13H15NO6 and a molecular weight of 281.26 g/mol. Its IUPAC name is 5-[4-(2-methoxyethoxy)phenyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid.

Molecular Properties

Compound Name5-[4-(2-methoxyethoxy)phenyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid
PubChem CID90123803
Molecular FormulaC13H15NO6
Molecular Weight281.26 g/mol
Exact Mass281.09
IUPAC Name5-[4-(2-methoxyethoxy)phenyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid
SMILESCOCCOc1ccc(C2OC(=O)NC2C(=O)O)cc1
InChIInChI=1S/C13H15NO6/c1-18-6-7-19-9-4-2-8(3-5-9)11-10(12(15)16)14-13(17)20-11/h2-5,10-11H,6-7H2,1H3,(H,14,17)(H,15,16)
InChIKeyRPICQPFPECEULH-UHFFFAOYSA-N
XLogP0.95
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.26
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 5-[4-(2-methoxyethoxy)phenyl]-2-oxo-1,3-oxazolidine-4-carboxylate
CID 90123748
[4-[[(4S,5S)-5-[4-(2-methoxyethoxy)phenyl]-2-oxo-1,3-oxazolidin-4-yl]methoxy]-2-methylbutan-2-yl]-methylsilanylium
CID 147433162
ethyl 5-(4-methoxyphenyl)-2-oxo-1,3-oxazolidine-4-carboxylate
CID 139842665
methyl (4S,5S)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate
CID 121224065
5-[4-(2-methoxyethoxy)phenyl]pyrrolidine-3-carboxylic acid
CID 117416959
(4S)-4-ethyl-5-(4-methoxyphenyl)-1,3-oxazolidin-2-one
CID 129312530
benzoic acid;bis(4-(2-methoxyethoxy)benzoic acid)
CID 91308161
methyl 2-[(4S,5R)-2-oxo-5-phenyl-1,3-oxazolidin-4-yl]acetate
CID 11791154
1-(2-methoxyethoxy)-4-phenylbenzene
CID 20582782
2-[4-(2-methoxyethoxy)phenyl]-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one
CID 54778826
2-hydroxy-3-[4-(2-methoxyethoxy)phenoxy]propanoic acid
CID 102149815
4-[4-(2-methoxyethoxy)phenyl]cyclohexan-1-amine
CID 19693936

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-methoxyethoxy)phenyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid?
The IUPAC name of 5-[4-(2-methoxyethoxy)phenyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid (CID 90123803) is 5-[4-(2-methoxyethoxy)phenyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid.
What is the SMILES notation for 5-[4-(2-methoxyethoxy)phenyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid?
The canonical SMILES for 5-[4-(2-methoxyethoxy)phenyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid is COCCOc1ccc(C2OC(=O)NC2C(=O)O)cc1.
What is the InChIKey of 5-[4-(2-methoxyethoxy)phenyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid?
The InChIKey is RPICQPFPECEULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO6/c1-18-6-7-19-9-4-2-8(3-5-9)11-10(12(15)16)14-13(17)20-11/h2-5,10-11H,6-7H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 5-[4-(2-methoxyethoxy)phenyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid?
5-[4-(2-methoxyethoxy)phenyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid has a molecular weight of 281.26 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-methoxyethoxy)phenyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid is sourced from PubChem (CID 90123803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).