4-[[3-(4-acetamidophenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]benzoic acid

C19H18N2O6 — CID 18997196

IUPAC4-[[3-(4-acetamidophenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]benzoic acid
SMILESCC(=O)Nc1ccc(N2CC(COc3ccc(C(=O)O)cc3)OC2=O)cc1
InChIInChI=1S/C19H18N2O6/c1-12(22)20-14-4-6-15(7-5-14)21-10-17(27-19(21)25)11-26-16-8-2-13(3-9-16)18(23)24/h2-9,17H,10-11H2,1H3,(H,20,22)(H,23,24)
InChIKeyIWDARPMSNOMOML-UHFFFAOYSA-N
MW370.36 g/mol
LogP2.75
Rot. Bonds6

About 4-[[3-(4-acetamidophenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]benzoic acid

4-[[3-(4-acetamidophenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]benzoic acid (PubChem CID 18997196) has the molecular formula C19H18N2O6 and a molecular weight of 370.36 g/mol. Its IUPAC name is 4-[[3-(4-acetamidophenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]benzoic acid.

Molecular Properties

Compound Name4-[[3-(4-acetamidophenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]benzoic acid
PubChem CID18997196
Molecular FormulaC19H18N2O6
Molecular Weight370.36 g/mol
Exact Mass370.12
IUPAC Name4-[[3-(4-acetamidophenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]benzoic acid
SMILESCC(=O)Nc1ccc(N2CC(COc3ccc(C(=O)O)cc3)OC2=O)cc1
InChIInChI=1S/C19H18N2O6/c1-12(22)20-14-4-6-15(7-5-14)21-10-17(27-19(21)25)11-26-16-8-2-13(3-9-16)18(23)24/h2-9,17H,10-11H2,1H3,(H,20,22)(H,23,24)
InChIKeyIWDARPMSNOMOML-UHFFFAOYSA-N
XLogP2.75
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[3-(4-nitrophenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]benzoic acid
CID 11405654
4-[[3-(2-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]benzoic acid
CID 11151685
4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]benzoic acid
CID 117063705
acetic acid;4-[2-oxo-5-[(4-phenylphenoxy)methyl]-1,3-oxazolidin-3-yl]benzenecarboximidamide
CID 159729512
N-[4-[1-[[(5R)-2-oxo-3-(4-phenylmethoxyphenyl)-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl]oxyphenyl]acetamide
CID 56630797
3-(4-chlorophenyl)-5-[(4-methylphenoxy)methyl]-1,3-oxazolidin-2-one
CID 629049
N-[4-[1-[[(5R)-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl]oxyphenyl]acetamide
CID 54341034
(5R)-5-(methoxymethyl)-3-[4-(3-oxobutoxy)phenyl]-1,3-oxazolidin-2-one
CID 18646211
N-[4-[[(2S)-oxiran-2-yl]methoxy]phenyl]acetamide
CID 737230
methyl 2-amino-3-[4-[[3-(4-carbamimidoylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]phenyl]propanoate
CID 18176781
5-[[4-(2-methylbutan-2-yl)phenoxy]methyl]-3-phenyl-1,3-oxazolidin-2-one
CID 59580198
4-[2-oxo-5-[(4-propoxyphenoxy)methyl]-1,3-oxazolidin-3-yl]benzenecarboximidamide
CID 10287062

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-acetamidophenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]benzoic acid?
The IUPAC name of 4-[[3-(4-acetamidophenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]benzoic acid (CID 18997196) is 4-[[3-(4-acetamidophenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]benzoic acid.
What is the SMILES notation for 4-[[3-(4-acetamidophenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]benzoic acid?
The canonical SMILES for 4-[[3-(4-acetamidophenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]benzoic acid is CC(=O)Nc1ccc(N2CC(COc3ccc(C(=O)O)cc3)OC2=O)cc1.
What is the InChIKey of 4-[[3-(4-acetamidophenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]benzoic acid?
The InChIKey is IWDARPMSNOMOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O6/c1-12(22)20-14-4-6-15(7-5-14)21-10-17(27-19(21)25)11-26-16-8-2-13(3-9-16)18(23)24/h2-9,17H,10-11H2,1H3,(H,20,22)(H,23,24).
What are the key properties of 4-[[3-(4-acetamidophenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]benzoic acid?
4-[[3-(4-acetamidophenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]benzoic acid has a molecular weight of 370.36 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-acetamidophenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]benzoic acid is sourced from PubChem (CID 18997196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).