5-[[2-(ethylaminomethyl)-4-fluorophenoxy]methyl]-1,3-oxazolidin-2-one

C13H17FN2O3 — CID 107695754

IUPAC5-[[2-(ethylaminomethyl)-4-fluorophenoxy]methyl]-1,3-oxazolidin-2-one
SMILESCCNCc1cc(F)ccc1OCC1CNC(=O)O1
InChIInChI=1S/C13H17FN2O3/c1-2-15-6-9-5-10(14)3-4-12(9)18-8-11-7-16-13(17)19-11/h3-5,11,15H,2,6-8H2,1H3,(H,16,17)
InChIKeyMQTAEAHLLLWMMU-UHFFFAOYSA-N
MW268.29 g/mol
LogP1.42
Rot. Bonds6

About 5-[[2-(ethylaminomethyl)-4-fluorophenoxy]methyl]-1,3-oxazolidin-2-one

5-[[2-(ethylaminomethyl)-4-fluorophenoxy]methyl]-1,3-oxazolidin-2-one (PubChem CID 107695754) has the molecular formula C13H17FN2O3 and a molecular weight of 268.29 g/mol. Its IUPAC name is 5-[[2-(ethylaminomethyl)-4-fluorophenoxy]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[[2-(ethylaminomethyl)-4-fluorophenoxy]methyl]-1,3-oxazolidin-2-one
PubChem CID107695754
Molecular FormulaC13H17FN2O3
Molecular Weight268.29 g/mol
Exact Mass268.12
IUPAC Name5-[[2-(ethylaminomethyl)-4-fluorophenoxy]methyl]-1,3-oxazolidin-2-one
SMILESCCNCc1cc(F)ccc1OCC1CNC(=O)O1
InChIInChI=1S/C13H17FN2O3/c1-2-15-6-9-5-10(14)3-4-12(9)18-8-11-7-16-13(17)19-11/h3-5,11,15H,2,6-8H2,1H3,(H,16,17)
InChIKeyMQTAEAHLLLWMMU-UHFFFAOYSA-N
XLogP1.42
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]methyl]-1,3-oxazolidin-2-one
CID 107696499
5-[[2,4-dichloro-6-(ethylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one
CID 60889826
CID 66849130
CID 66849130
methanesulfonic acid;5-[(2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one
CID 87722700
N-[[5-fluoro-2-(oxolan-3-ylmethoxy)phenyl]methyl]ethanamine
CID 107695487
5-[[2-(aminomethyl)-4-methylphenoxy]methyl]-1,3-oxazolidin-2-one
CID 55205308
3-fluoro-4-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzaldehyde
CID 107689602
5-[(5-chloro-2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one
CID 21496492
5-[[2-ethoxy-4-(methylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one
CID 60880902
(5S)-5-[(2-butoxyphenoxy)methyl]-1,3-oxazolidin-2-one
CID 95561590
1-[2-[2-(ethylaminomethyl)-4-fluorophenoxy]ethyl]imidazolidin-2-one
CID 107695464
5-[[2-(aminomethyl)-4-chlorophenoxy]methyl]-1,3-oxazolidin-2-one
CID 60878892

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(ethylaminomethyl)-4-fluorophenoxy]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[[2-(ethylaminomethyl)-4-fluorophenoxy]methyl]-1,3-oxazolidin-2-one (CID 107695754) is 5-[[2-(ethylaminomethyl)-4-fluorophenoxy]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[[2-(ethylaminomethyl)-4-fluorophenoxy]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[[2-(ethylaminomethyl)-4-fluorophenoxy]methyl]-1,3-oxazolidin-2-one is CCNCc1cc(F)ccc1OCC1CNC(=O)O1.
What is the InChIKey of 5-[[2-(ethylaminomethyl)-4-fluorophenoxy]methyl]-1,3-oxazolidin-2-one?
The InChIKey is MQTAEAHLLLWMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3/c1-2-15-6-9-5-10(14)3-4-12(9)18-8-11-7-16-13(17)19-11/h3-5,11,15H,2,6-8H2,1H3,(H,16,17).
What are the key properties of 5-[[2-(ethylaminomethyl)-4-fluorophenoxy]methyl]-1,3-oxazolidin-2-one?
5-[[2-(ethylaminomethyl)-4-fluorophenoxy]methyl]-1,3-oxazolidin-2-one has a molecular weight of 268.29 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(ethylaminomethyl)-4-fluorophenoxy]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 107695754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).