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

C14H20N2O4 — CID 60880902

IUPAC5-[[2-ethoxy-4-(methylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one
SMILESCCOc1cc(CNC)ccc1OCC1CNC(=O)O1
InChIInChI=1S/C14H20N2O4/c1-3-18-13-6-10(7-15-2)4-5-12(13)19-9-11-8-16-14(17)20-11/h4-6,11,15H,3,7-9H2,1-2H3,(H,16,17)
InChIKeyABDZMJDTBFHTJT-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.29
Rot. Bonds7

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

5-[[2-ethoxy-4-(methylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one (PubChem CID 60880902) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 5-[[2-ethoxy-4-(methylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[[2-ethoxy-4-(methylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one
PubChem CID60880902
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name5-[[2-ethoxy-4-(methylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one
SMILESCCOc1cc(CNC)ccc1OCC1CNC(=O)O1
InChIInChI=1S/C14H20N2O4/c1-3-18-13-6-10(7-15-2)4-5-12(13)19-9-11-8-16-14(17)20-11/h4-6,11,15H,3,7-9H2,1-2H3,(H,16,17)
InChIKeyABDZMJDTBFHTJT-UHFFFAOYSA-N
XLogP1.29
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[2-bromo-4-(methylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one
CID 63046355
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
5-[(5-chloro-2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one
CID 21496492
5-[[2-(ethylaminomethyl)-4-fluorophenoxy]methyl]-1,3-oxazolidin-2-one
CID 107695754
5-[[4-[1-(ethylamino)ethyl]-2-methoxyphenoxy]methyl]-1,3-oxazolidin-2-one
CID 60881929
1-[3-ethoxy-4-(3-methoxypropoxy)phenyl]-N-methylmethanamine
CID 54935970
1-[4-methoxy-3-[(5-methyloxolan-2-yl)methoxy]phenyl]-N-methylmethanamine
CID 103132869
5-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methyl]-1,3-oxazolidin-2-one
CID 134123269
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
(6R)-6-[(2-ethoxyphenoxy)methyl]morpholin-3-one
CID 86330978

Frequently Asked Questions

What is the IUPAC name of 5-[[2-ethoxy-4-(methylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[[2-ethoxy-4-(methylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one (CID 60880902) is 5-[[2-ethoxy-4-(methylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[[2-ethoxy-4-(methylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[[2-ethoxy-4-(methylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one is CCOc1cc(CNC)ccc1OCC1CNC(=O)O1.
What is the InChIKey of 5-[[2-ethoxy-4-(methylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one?
The InChIKey is ABDZMJDTBFHTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-3-18-13-6-10(7-15-2)4-5-12(13)19-9-11-8-16-14(17)20-11/h4-6,11,15H,3,7-9H2,1-2H3,(H,16,17).
What are the key properties of 5-[[2-ethoxy-4-(methylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one?
5-[[2-ethoxy-4-(methylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one has a molecular weight of 280.32 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-ethoxy-4-(methylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 60880902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).