5-[[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one

C14H19BrN2O4 — CID 60887163

IUPAC5-[[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one
SMILESCCOc1cc(CNC)cc(Br)c1OCC1CNC(=O)O1
InChIInChI=1S/C14H19BrN2O4/c1-3-19-12-5-9(6-16-2)4-11(15)13(12)20-8-10-7-17-14(18)21-10/h4-5,10,16H,3,6-8H2,1-2H3,(H,17,18)
InChIKeyYUNOGEOEIUSRSY-UHFFFAOYSA-N
MW359.22 g/mol
LogP2.05
Rot. Bonds7

About 5-[[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one

5-[[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one (PubChem CID 60887163) has the molecular formula C14H19BrN2O4 and a molecular weight of 359.22 g/mol. Its IUPAC name is 5-[[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one
PubChem CID60887163
Molecular FormulaC14H19BrN2O4
Molecular Weight359.22 g/mol
Exact Mass358.05
IUPAC Name5-[[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one
SMILESCCOc1cc(CNC)cc(Br)c1OCC1CNC(=O)O1
InChIInChI=1S/C14H19BrN2O4/c1-3-19-12-5-9(6-16-2)4-11(15)13(12)20-8-10-7-17-14(18)21-10/h4-5,10,16H,3,6-8H2,1-2H3,(H,17,18)
InChIKeyYUNOGEOEIUSRSY-UHFFFAOYSA-N
XLogP2.05
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.22
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[2-ethoxy-4-(methylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one
CID 60880902
5-[[2-bromo-4-(methylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one
CID 63046355
1-[3-bromo-4-(cyclobutylmethoxy)-5-ethoxyphenyl]-N-methylmethanamine
CID 65457314
(5R)-5-[[2,6-dibromo-4-[(5S)-2-oxo-1,3-oxazolidin-5-yl]phenoxy]methyl]-1,3-oxazolidin-2-one
CID 162996076
3-[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]oxolan-2-one
CID 60889471
1-(3-bromo-4-cyclopentyloxy-5-ethoxyphenyl)-N-methylmethanamine
CID 43626927
2-[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]acetamide
CID 4716458
4-[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]-N-methylbutanamide
CID 63892028
1-[3-bromo-4-[(E)-but-2-enoxy]-5-ethoxyphenyl]-N-methylmethanamine
CID 60889104
N-[[3-bromo-4-(cyclopropylmethoxy)-5-ethoxyphenyl]methyl]-2-methylpropan-2-amine
CID 63062834
2-[[2-bromo-4-(bromomethyl)-6-ethoxyphenoxy]methyl]-5-methyloxolane
CID 103135379
2-[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]-N-carbamoylacetamide
CID 43626905

Frequently Asked Questions

What is the IUPAC name of 5-[[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one (CID 60887163) is 5-[[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one is CCOc1cc(CNC)cc(Br)c1OCC1CNC(=O)O1.
What is the InChIKey of 5-[[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one?
The InChIKey is YUNOGEOEIUSRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O4/c1-3-19-12-5-9(6-16-2)4-11(15)13(12)20-8-10-7-17-14(18)21-10/h4-5,10,16H,3,6-8H2,1-2H3,(H,17,18).
What are the key properties of 5-[[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one?
5-[[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one has a molecular weight of 359.22 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 60887163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).