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

C12H13NO5 — CID 54929992

IUPAC3-methyl-2-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzoic acid
SMILESCc1cccc(C(=O)O)c1OCC1CNC(=O)O1
InChIInChI=1S/C12H13NO5/c1-7-3-2-4-9(11(14)15)10(7)17-6-8-5-13-12(16)18-8/h2-4,8H,5-6H2,1H3,(H,13,16)(H,14,15)
InChIKeyPYZXIZGFXCXSAJ-UHFFFAOYSA-N
MW251.24 g/mol
LogP1.18
Rot. Bonds4

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

3-methyl-2-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzoic acid (PubChem CID 54929992) has the molecular formula C12H13NO5 and a molecular weight of 251.24 g/mol. Its IUPAC name is 3-methyl-2-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzoic acid.

Molecular Properties

Compound Name3-methyl-2-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzoic acid
PubChem CID54929992
Molecular FormulaC12H13NO5
Molecular Weight251.24 g/mol
Exact Mass251.08
IUPAC Name3-methyl-2-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzoic acid
SMILESCc1cccc(C(=O)O)c1OCC1CNC(=O)O1
InChIInChI=1S/C12H13NO5/c1-7-3-2-4-9(11(14)15)10(7)17-6-8-5-13-12(16)18-8/h2-4,8H,5-6H2,1H3,(H,13,16)(H,14,15)
InChIKeyPYZXIZGFXCXSAJ-UHFFFAOYSA-N
XLogP1.18
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-2-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzoic acid
CID 112612064
3-bromo-2-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzoic acid
CID 61391183
5-[(2,6-dimethoxyphenoxy)methyl]-1,3-oxazolidin-2-one
CID 21423647
5-[(2-acetylnaphthalen-1-yl)oxymethyl]-1,3-oxazolidin-2-one
CID 43388559
(5S)-5-[[4-[[(5R)-2-oxo-1,3-oxazolidin-5-yl]methoxy]phenoxy]methyl]-1,3-oxazolidin-2-one
CID 950474
(5R)-5-(naphthalen-1-yloxymethyl)-1,3-oxazolidin-2-one
CID 754370
CID 66849130
CID 66849130
5-[(2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one;prop-2-enoic acid
CID 66663546
carbonic acid;2-methoxy-3-methylbenzoic acid
CID 69114521
CID 175079027
CID 175079027
ethyl 4-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzoate
CID 60673999
3-methyl-2-[2-(oxolan-2-yl)ethoxy]benzoic acid
CID 65158626

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzoic acid?
The IUPAC name of 3-methyl-2-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzoic acid (CID 54929992) is 3-methyl-2-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzoic acid.
What is the SMILES notation for 3-methyl-2-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzoic acid?
The canonical SMILES for 3-methyl-2-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzoic acid is Cc1cccc(C(=O)O)c1OCC1CNC(=O)O1.
What is the InChIKey of 3-methyl-2-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzoic acid?
The InChIKey is PYZXIZGFXCXSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO5/c1-7-3-2-4-9(11(14)15)10(7)17-6-8-5-13-12(16)18-8/h2-4,8H,5-6H2,1H3,(H,13,16)(H,14,15).
What are the key properties of 3-methyl-2-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzoic acid?
3-methyl-2-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzoic acid has a molecular weight of 251.24 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzoic acid is sourced from PubChem (CID 54929992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).