5-[[3-(methylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one

C12H16N2O3 — CID 60882601

IUPAC5-[[3-(methylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one
SMILESCNCc1cccc(OCC2CNC(=O)O2)c1
InChIInChI=1S/C12H16N2O3/c1-13-6-9-3-2-4-10(5-9)16-8-11-7-14-12(15)17-11/h2-5,11,13H,6-8H2,1H3,(H,14,15)
InChIKeyCLEBNZWUUUQQAH-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.89
Rot. Bonds5

About 5-[[3-(methylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one

5-[[3-(methylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one (PubChem CID 60882601) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 5-[[3-(methylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[[3-(methylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one
PubChem CID60882601
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name5-[[3-(methylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one
SMILESCNCc1cccc(OCC2CNC(=O)O2)c1
InChIInChI=1S/C12H16N2O3/c1-13-6-9-3-2-4-10(5-9)16-8-11-7-14-12(15)17-11/h2-5,11,13H,6-8H2,1H3,(H,14,15)
InChIKeyCLEBNZWUUUQQAH-UHFFFAOYSA-N
XLogP0.89
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[2-bromo-4-(methylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one
CID 63046355
5-[[2-ethoxy-4-(methylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one
CID 60880902
(5S)-5-[[4-[[(5R)-2-oxo-1,3-oxazolidin-5-yl]methoxy]phenoxy]methyl]-1,3-oxazolidin-2-one
CID 950474
3-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzenecarboximidamide
CID 141009924
5-[(2,6-dimethoxyphenoxy)methyl]-1,3-oxazolidin-2-one
CID 21423647
2-fluoro-4-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzoic acid
CID 107675374
CID 66849130
CID 66849130
5-[(1-hydroxy-2,3-dihydro-1H-inden-5-yl)oxymethyl]-1,3-oxazolidin-2-one
CID 107684721
5-[[4-[2-(ethylamino)propyl]phenoxy]methyl]-1,3-oxazolidin-2-one
CID 115494942
(5R)-5-(naphthalen-1-yloxymethyl)-1,3-oxazolidin-2-one
CID 754370
ethane;1-(3-methoxyphenyl)-N-methylmethanamine
CID 142908093
3-[3-(methylaminomethyl)phenoxy]propan-1-ol
CID 57355503

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(methylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[[3-(methylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one (CID 60882601) is 5-[[3-(methylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[[3-(methylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[[3-(methylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one is CNCc1cccc(OCC2CNC(=O)O2)c1.
What is the InChIKey of 5-[[3-(methylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one?
The InChIKey is CLEBNZWUUUQQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-13-6-9-3-2-4-10(5-9)16-8-11-7-14-12(15)17-11/h2-5,11,13H,6-8H2,1H3,(H,14,15).
What are the key properties of 5-[[3-(methylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one?
5-[[3-(methylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one has a molecular weight of 236.27 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(methylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 60882601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).