methyl 5-[4-(2-methoxyethoxy)phenyl]-2-oxo-1,3-oxazolidine-4-carboxylate

C14H17NO6 — CID 90123748

IUPACmethyl 5-[4-(2-methoxyethoxy)phenyl]-2-oxo-1,3-oxazolidine-4-carboxylate
SMILESCOCCOc1ccc(C2OC(=O)NC2C(=O)OC)cc1
InChIInChI=1S/C14H17NO6/c1-18-7-8-20-10-5-3-9(4-6-10)12-11(13(16)19-2)15-14(17)21-12/h3-6,11-12H,7-8H2,1-2H3,(H,15,17)
InChIKeyLKHQWGOINBBZRU-UHFFFAOYSA-N
MW295.29 g/mol
LogP1.03
Rot. Bonds6

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

methyl 5-[4-(2-methoxyethoxy)phenyl]-2-oxo-1,3-oxazolidine-4-carboxylate (PubChem CID 90123748) has the molecular formula C14H17NO6 and a molecular weight of 295.29 g/mol. Its IUPAC name is methyl 5-[4-(2-methoxyethoxy)phenyl]-2-oxo-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-[4-(2-methoxyethoxy)phenyl]-2-oxo-1,3-oxazolidine-4-carboxylate
PubChem CID90123748
Molecular FormulaC14H17NO6
Molecular Weight295.29 g/mol
Exact Mass295.11
IUPAC Namemethyl 5-[4-(2-methoxyethoxy)phenyl]-2-oxo-1,3-oxazolidine-4-carboxylate
SMILESCOCCOc1ccc(C2OC(=O)NC2C(=O)OC)cc1
InChIInChI=1S/C14H17NO6/c1-18-7-8-20-10-5-3-9(4-6-10)12-11(13(16)19-2)15-14(17)21-12/h3-6,11-12H,7-8H2,1-2H3,(H,15,17)
InChIKeyLKHQWGOINBBZRU-UHFFFAOYSA-N
XLogP1.03
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[4-(2-methoxyethoxy)phenyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 90123803
methyl (4S,5S)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate
CID 121224065
ethyl 5-(4-methoxyphenyl)-2-oxo-1,3-oxazolidine-4-carboxylate
CID 139842665
methyl 5-(2-ethyl-1,3-benzodioxol-5-yl)-2-oxo-1,3-oxazolidine-4-carboxylate
CID 139751050
[4-[[(4S,5S)-5-[4-(2-methoxyethoxy)phenyl]-2-oxo-1,3-oxazolidin-4-yl]methoxy]-2-methylbutan-2-yl]-methylsilanylium
CID 147433162
(4S)-4-ethyl-5-(4-methoxyphenyl)-1,3-oxazolidin-2-one
CID 129312530
methyl 2-[(4S,5R)-2-oxo-5-phenyl-1,3-oxazolidin-4-yl]acetate
CID 11791154
methyl 2-hydroxy-2-[4-(2-methoxyethoxy)phenyl]acetate
CID 117353011
2-[4-(2-methoxyethoxy)phenyl]-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one
CID 54778826
methyl N-[4-(2-methoxyethoxy)phenyl]carbamate
CID 110777023
methyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate
CID 104560522
benzoic acid;bis(4-(2-methoxyethoxy)benzoic acid)
CID 91308161

Frequently Asked Questions

What is the IUPAC name of methyl 5-[4-(2-methoxyethoxy)phenyl]-2-oxo-1,3-oxazolidine-4-carboxylate?
The IUPAC name of methyl 5-[4-(2-methoxyethoxy)phenyl]-2-oxo-1,3-oxazolidine-4-carboxylate (CID 90123748) is methyl 5-[4-(2-methoxyethoxy)phenyl]-2-oxo-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for methyl 5-[4-(2-methoxyethoxy)phenyl]-2-oxo-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for methyl 5-[4-(2-methoxyethoxy)phenyl]-2-oxo-1,3-oxazolidine-4-carboxylate is COCCOc1ccc(C2OC(=O)NC2C(=O)OC)cc1.
What is the InChIKey of methyl 5-[4-(2-methoxyethoxy)phenyl]-2-oxo-1,3-oxazolidine-4-carboxylate?
The InChIKey is LKHQWGOINBBZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO6/c1-18-7-8-20-10-5-3-9(4-6-10)12-11(13(16)19-2)15-14(17)21-12/h3-6,11-12H,7-8H2,1-2H3,(H,15,17).
What are the key properties of methyl 5-[4-(2-methoxyethoxy)phenyl]-2-oxo-1,3-oxazolidine-4-carboxylate?
methyl 5-[4-(2-methoxyethoxy)phenyl]-2-oxo-1,3-oxazolidine-4-carboxylate has a molecular weight of 295.29 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[4-(2-methoxyethoxy)phenyl]-2-oxo-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 90123748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).