5-[[2-bromo-4-(methylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one

C12H15BrN2O3 — CID 63046355

IUPAC5-[[2-bromo-4-(methylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one
SMILESCNCc1ccc(OCC2CNC(=O)O2)c(Br)c1
InChIInChI=1S/C12H15BrN2O3/c1-14-5-8-2-3-11(10(13)4-8)17-7-9-6-15-12(16)18-9/h2-4,9,14H,5-7H2,1H3,(H,15,16)
InChIKeyIEWFSDMZUXCSEW-UHFFFAOYSA-N
MW315.17 g/mol
LogP1.66
Rot. Bonds5

About 5-[[2-bromo-4-(methylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one

5-[[2-bromo-4-(methylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one (PubChem CID 63046355) has the molecular formula C12H15BrN2O3 and a molecular weight of 315.17 g/mol. Its IUPAC name is 5-[[2-bromo-4-(methylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[[2-bromo-4-(methylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one
PubChem CID63046355
Molecular FormulaC12H15BrN2O3
Molecular Weight315.17 g/mol
Exact Mass314.03
IUPAC Name5-[[2-bromo-4-(methylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one
SMILESCNCc1ccc(OCC2CNC(=O)O2)c(Br)c1
InChIInChI=1S/C12H15BrN2O3/c1-14-5-8-2-3-11(10(13)4-8)17-7-9-6-15-12(16)18-9/h2-4,9,14H,5-7H2,1H3,(H,15,16)
InChIKeyIEWFSDMZUXCSEW-UHFFFAOYSA-N
XLogP1.66
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[2-ethoxy-4-(methylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one
CID 60880902
5-[[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one
CID 60887163
5-[[2-(methylaminomethyl)-5-propoxyphenoxy]methyl]-1,3-oxazolidin-2-one
CID 60889962
(5R)-5-[[2,6-dibromo-4-[(5S)-2-oxo-1,3-oxazolidin-5-yl]phenoxy]methyl]-1,3-oxazolidin-2-one
CID 162996076
1-(3-bromo-4-ethoxyphenyl)-N-methylmethanamine
CID 17157575
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-[[2-(aminomethyl)-4-methylphenoxy]methyl]-1,3-oxazolidin-2-one
CID 55205308
5-[(2,3,5-trimethylphenoxy)methyl]-1,3-oxazolidin-2-one
CID 21496496
1-[3-bromo-4-[2-(4-methoxyphenyl)ethoxy]phenyl]-N-methylmethanamine
CID 65430834
4-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]-3-propan-2-ylbenzenesulfonamide
CID 82911019
5-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methyl]-1,3-oxazolidin-2-one
CID 134123269

Frequently Asked Questions

What is the IUPAC name of 5-[[2-bromo-4-(methylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[[2-bromo-4-(methylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one (CID 63046355) is 5-[[2-bromo-4-(methylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[[2-bromo-4-(methylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[[2-bromo-4-(methylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one is CNCc1ccc(OCC2CNC(=O)O2)c(Br)c1.
What is the InChIKey of 5-[[2-bromo-4-(methylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one?
The InChIKey is IEWFSDMZUXCSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O3/c1-14-5-8-2-3-11(10(13)4-8)17-7-9-6-15-12(16)18-9/h2-4,9,14H,5-7H2,1H3,(H,15,16).
What are the key properties of 5-[[2-bromo-4-(methylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one?
5-[[2-bromo-4-(methylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one has a molecular weight of 315.17 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-bromo-4-(methylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 63046355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).