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

C14H17NO6 — CID 43472370

IUPAC2-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]-4-propoxybenzoic acid
SMILESCCCOc1ccc(C(=O)O)c(OCC2CNC(=O)O2)c1
InChIInChI=1S/C14H17NO6/c1-2-5-19-9-3-4-11(13(16)17)12(6-9)20-8-10-7-15-14(18)21-10/h3-4,6,10H,2,5,7-8H2,1H3,(H,15,18)(H,16,17)
InChIKeyQLDQLURQIRGTFA-UHFFFAOYSA-N
MW295.29 g/mol
LogP1.66
Rot. Bonds7

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

2-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]-4-propoxybenzoic acid (PubChem CID 43472370) has the molecular formula C14H17NO6 and a molecular weight of 295.29 g/mol. Its IUPAC name is 2-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]-4-propoxybenzoic acid.

Molecular Properties

Compound Name2-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]-4-propoxybenzoic acid
PubChem CID43472370
Molecular FormulaC14H17NO6
Molecular Weight295.29 g/mol
Exact Mass295.11
IUPAC Name2-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]-4-propoxybenzoic acid
SMILESCCCOc1ccc(C(=O)O)c(OCC2CNC(=O)O2)c1
InChIInChI=1S/C14H17NO6/c1-2-5-19-9-3-4-11(13(16)17)12(6-9)20-8-10-7-15-14(18)21-10/h3-4,6,10H,2,5,7-8H2,1H3,(H,15,18)(H,16,17)
InChIKeyQLDQLURQIRGTFA-UHFFFAOYSA-N
XLogP1.66
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[2-(methylaminomethyl)-5-propoxyphenoxy]methyl]-1,3-oxazolidin-2-one
CID 60889962
2-fluoro-4-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzoic acid
CID 107675374
3-methyl-2-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzoic acid
CID 54929992
2-[3-(dimethylamino)propoxy]-4-propoxybenzoic acid
CID 114525459
2-cyclopentyloxy-4-propoxybenzoic acid
CID 43472393
4-decoxy-2-hexoxybenzoic acid
CID 141156533
ethyl 4-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzoate
CID 60673999
3-bromo-2-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzoic acid
CID 61391183
4-propoxy-2-(2-pyrazol-1-ylethoxy)benzoic acid
CID 61491942
2-methoxy-5-propoxybenzoic acid
CID 82265622
5-[(2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one;prop-2-enoic acid
CID 66663546
2-methyl-4-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzenesulfonamide
CID 82914735

Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]-4-propoxybenzoic acid?
The IUPAC name of 2-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]-4-propoxybenzoic acid (CID 43472370) is 2-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]-4-propoxybenzoic acid.
What is the SMILES notation for 2-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]-4-propoxybenzoic acid?
The canonical SMILES for 2-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]-4-propoxybenzoic acid is CCCOc1ccc(C(=O)O)c(OCC2CNC(=O)O2)c1.
What is the InChIKey of 2-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]-4-propoxybenzoic acid?
The InChIKey is QLDQLURQIRGTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO6/c1-2-5-19-9-3-4-11(13(16)17)12(6-9)20-8-10-7-15-14(18)21-10/h3-4,6,10H,2,5,7-8H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 2-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]-4-propoxybenzoic acid?
2-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]-4-propoxybenzoic acid has a molecular weight of 295.29 g/mol, XLogP of 1.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]-4-propoxybenzoic acid is sourced from PubChem (CID 43472370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).