ethyl 4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]benzoate

C15H18N2O5 — CID 14809103

IUPACethyl 4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]benzoate
SMILESCCOC(=O)c1ccc(N2CC(CNC(C)=O)OC2=O)cc1
InChIInChI=1S/C15H18N2O5/c1-3-21-14(19)11-4-6-12(7-5-11)17-9-13(22-15(17)20)8-16-10(2)18/h4-7,13H,3,8-9H2,1-2H3,(H,16,18)
InChIKeyYMGKMEBBAVAGTK-UHFFFAOYSA-N
MW306.32 g/mol
LogP1.32
Rot. Bonds5

About ethyl 4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]benzoate

ethyl 4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]benzoate (PubChem CID 14809103) has the molecular formula C15H18N2O5 and a molecular weight of 306.32 g/mol. Its IUPAC name is ethyl 4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]benzoate.

Molecular Properties

Compound Nameethyl 4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]benzoate
PubChem CID14809103
Molecular FormulaC15H18N2O5
Molecular Weight306.32 g/mol
Exact Mass306.12
IUPAC Nameethyl 4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]benzoate
SMILESCCOC(=O)c1ccc(N2CC(CNC(C)=O)OC2=O)cc1
InChIInChI=1S/C15H18N2O5/c1-3-21-14(19)11-4-6-12(7-5-11)17-9-13(22-15(17)20)8-16-10(2)18/h4-7,13H,3,8-9H2,1-2H3,(H,16,18)
InChIKeyYMGKMEBBAVAGTK-UHFFFAOYSA-N
XLogP1.32
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 20666078
N-[[(5R)-3-[4-(hydroxymethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 54472628
N-[[(5R)-3-(4-butylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 54256476
N-[[(5R)-3-[4-(1-hydroxyethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 151762391
N-[[3-[4-(4-hydroxypiperidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 68698825
diethyl 6-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-ethylazulene-1,3-dicarboxylate
CID 143555247
N-[[(5S)-2-oxo-3-[4-(1H-pyrrole-2-carbonyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide
CID 57081651
N-[[(5S)-3-(4-amino-3-hydroxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 54229929
N-[[2-oxo-3-(4-piperazin-1-ylphenyl)-1,3-oxazolidin-5-yl]methyl]acetamide
CID 21462605
N-[[(5S)-3-[4-(2-hydroxyethylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 638803
ethyl 2-oxo-2-[[(5R)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methylamino]acetate
CID 40923689
N-[[3-[4-(4-formylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 14987724

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]benzoate?
The IUPAC name of ethyl 4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]benzoate (CID 14809103) is ethyl 4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]benzoate.
What is the SMILES notation for ethyl 4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]benzoate?
The canonical SMILES for ethyl 4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]benzoate is CCOC(=O)c1ccc(N2CC(CNC(C)=O)OC2=O)cc1.
What is the InChIKey of ethyl 4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]benzoate?
The InChIKey is YMGKMEBBAVAGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5/c1-3-21-14(19)11-4-6-12(7-5-11)17-9-13(22-15(17)20)8-16-10(2)18/h4-7,13H,3,8-9H2,1-2H3,(H,16,18).
What are the key properties of ethyl 4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]benzoate?
ethyl 4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]benzoate has a molecular weight of 306.32 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]benzoate is sourced from PubChem (CID 14809103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).