methanesulfonic acid;5-[(2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one

C12H17NO7S — CID 87722700

IUPACmethanesulfonic acid;5-[(2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one
SMILESCOc1ccccc1OCC1CNC(=O)O1.CS(=O)(=O)O
InChIInChI=1S/C11H13NO4.CH4O3S/c1-14-9-4-2-3-5-10(9)15-7-8-6-12-11(13)16-8;1-5(2,3)4/h2-5,8H,6-7H2,1H3,(H,12,13);1H3,(H,2,3,4)
InChIKeyFPQMNMOYXOQGPH-UHFFFAOYSA-N
MW319.34 g/mol
LogP0.69
Rot. Bonds4

About methanesulfonic acid;5-[(2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one

methanesulfonic acid;5-[(2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one (PubChem CID 87722700) has the molecular formula C12H17NO7S and a molecular weight of 319.34 g/mol. Its IUPAC name is methanesulfonic acid;5-[(2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Namemethanesulfonic acid;5-[(2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one
PubChem CID87722700
Molecular FormulaC12H17NO7S
Molecular Weight319.34 g/mol
Exact Mass319.07
IUPAC Namemethanesulfonic acid;5-[(2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one
SMILESCOc1ccccc1OCC1CNC(=O)O1.CS(=O)(=O)O
InChIInChI=1S/C11H13NO4.CH4O3S/c1-14-9-4-2-3-5-10(9)15-7-8-6-12-11(13)16-8;1-5(2,3)4/h2-5,8H,6-7H2,1H3,(H,12,13);1H3,(H,2,3,4)
InChIKeyFPQMNMOYXOQGPH-UHFFFAOYSA-N
XLogP0.69
TPSA111.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

CID 66849130
CID 66849130
5-[(2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one;prop-2-enoic acid
CID 66663546
(5S)-5-[(2-butoxyphenoxy)methyl]-1,3-oxazolidin-2-one
CID 95561590
5-[(2,6-dimethoxyphenoxy)methyl]-1,3-oxazolidin-2-one
CID 21423647
1,2-benzoxazole;5-[(2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one
CID 68913573
(5R)-5-(naphthalen-1-yloxymethyl)-1,3-oxazolidin-2-one
CID 754370
5-[(5-chloro-2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one
CID 21496492
5-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methyl]-1,3-oxazolidin-2-one
CID 134123269
5-[[2-(ethylaminomethyl)-4-fluorophenoxy]methyl]-1,3-oxazolidin-2-one
CID 107695754
(5S)-5-[[4-[[(5R)-2-oxo-1,3-oxazolidin-5-yl]methoxy]phenoxy]methyl]-1,3-oxazolidin-2-one
CID 950474
5-[[4-[1-(ethylamino)ethyl]-2-methoxyphenoxy]methyl]-1,3-oxazolidin-2-one
CID 60881929
5-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxymethyl]-1,3-oxazolidin-2-one
CID 63091025

Frequently Asked Questions

What is the IUPAC name of methanesulfonic acid;5-[(2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of methanesulfonic acid;5-[(2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one (CID 87722700) is methanesulfonic acid;5-[(2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for methanesulfonic acid;5-[(2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for methanesulfonic acid;5-[(2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one is COc1ccccc1OCC1CNC(=O)O1.CS(=O)(=O)O.
What is the InChIKey of methanesulfonic acid;5-[(2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one?
The InChIKey is FPQMNMOYXOQGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4.CH4O3S/c1-14-9-4-2-3-5-10(9)15-7-8-6-12-11(13)16-8;1-5(2,3)4/h2-5,8H,6-7H2,1H3,(H,12,13);1H3,(H,2,3,4).
What are the key properties of methanesulfonic acid;5-[(2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one?
methanesulfonic acid;5-[(2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one has a molecular weight of 319.34 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonic acid;5-[(2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 87722700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).