5-[[2,4-dichloro-6-(ethylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one

C13H16Cl2N2O3 — CID 60889826

IUPAC5-[[2,4-dichloro-6-(ethylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one
SMILESCCNCc1cc(Cl)cc(Cl)c1OCC1CNC(=O)O1
InChIInChI=1S/C13H16Cl2N2O3/c1-2-16-5-8-3-9(14)4-11(15)12(8)19-7-10-6-17-13(18)20-10/h3-4,10,16H,2,5-7H2,1H3,(H,17,18)
InChIKeyOAICSBIBCUPKDW-UHFFFAOYSA-N
MW319.19 g/mol
LogP2.59
Rot. Bonds6

About 5-[[2,4-dichloro-6-(ethylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one

5-[[2,4-dichloro-6-(ethylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one (PubChem CID 60889826) has the molecular formula C13H16Cl2N2O3 and a molecular weight of 319.19 g/mol. Its IUPAC name is 5-[[2,4-dichloro-6-(ethylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[[2,4-dichloro-6-(ethylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one
PubChem CID60889826
Molecular FormulaC13H16Cl2N2O3
Molecular Weight319.19 g/mol
Exact Mass318.05
IUPAC Name5-[[2,4-dichloro-6-(ethylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one
SMILESCCNCc1cc(Cl)cc(Cl)c1OCC1CNC(=O)O1
InChIInChI=1S/C13H16Cl2N2O3/c1-2-16-5-8-3-9(14)4-11(15)12(8)19-7-10-6-17-13(18)20-10/h3-4,10,16H,2,5-7H2,1H3,(H,17,18)
InChIKeyOAICSBIBCUPKDW-UHFFFAOYSA-N
XLogP2.59
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.19
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[2-(aminomethyl)-4,6-dichlorophenoxy]methyl]-1,3-oxazolidin-2-one
CID 60889428
5-[[2-(ethylaminomethyl)-4-fluorophenoxy]methyl]-1,3-oxazolidin-2-one
CID 107695754
5-[[2-(aminomethyl)-4-chloro-6-methoxyphenoxy]methyl]-1,3-oxazolidin-2-one
CID 104664108
5-[[2-[(tert-butylamino)methyl]-6-chlorophenoxy]methyl]-1,3-oxazolidin-2-one
CID 115954681
N-[[3,5-dichloro-2-(3-fluoropropoxy)phenyl]methyl]ethanamine
CID 81107142
N-[[3,5-dichloro-2-(3-ethylsulfonylpropoxy)phenyl]methyl]ethanamine
CID 65094121
5-[[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]methyl]-1,3-oxazolidin-2-one
CID 62073547
N-[[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]methyl]ethanamine
CID 54939665
(5R)-5-[[2,6-dibromo-4-[(5S)-2-oxo-1,3-oxazolidin-5-yl]phenoxy]methyl]-1,3-oxazolidin-2-one
CID 162996076
N-[[3,5-dichloro-2-(2-pyridin-4-ylethoxy)phenyl]methyl]ethanamine
CID 60893022
5-[[2-(aminomethyl)-4-chlorophenoxy]methyl]-1,3-oxazolidin-2-one
CID 60878892
5-[(5-chloro-2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one
CID 21496492

Frequently Asked Questions

What is the IUPAC name of 5-[[2,4-dichloro-6-(ethylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[[2,4-dichloro-6-(ethylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one (CID 60889826) is 5-[[2,4-dichloro-6-(ethylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[[2,4-dichloro-6-(ethylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[[2,4-dichloro-6-(ethylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one is CCNCc1cc(Cl)cc(Cl)c1OCC1CNC(=O)O1.
What is the InChIKey of 5-[[2,4-dichloro-6-(ethylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one?
The InChIKey is OAICSBIBCUPKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O3/c1-2-16-5-8-3-9(14)4-11(15)12(8)19-7-10-6-17-13(18)20-10/h3-4,10,16H,2,5-7H2,1H3,(H,17,18).
What are the key properties of 5-[[2,4-dichloro-6-(ethylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one?
5-[[2,4-dichloro-6-(ethylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one has a molecular weight of 319.19 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2,4-dichloro-6-(ethylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 60889826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).