5-[[2-(aminomethyl)-4,6-dichlorophenoxy]methyl]-1,3-oxazolidin-2-one

C11H12Cl2N2O3 — CID 60889428

IUPAC5-[[2-(aminomethyl)-4,6-dichlorophenoxy]methyl]-1,3-oxazolidin-2-one
SMILESNCc1cc(Cl)cc(Cl)c1OCC1CNC(=O)O1
InChIInChI=1S/C11H12Cl2N2O3/c12-7-1-6(3-14)10(9(13)2-7)17-5-8-4-15-11(16)18-8/h1-2,8H,3-5,14H2,(H,15,16)
InChIKeyBYRNQFUGOHYZDY-UHFFFAOYSA-N
MW291.13 g/mol
LogP1.94
Rot. Bonds4

About 5-[[2-(aminomethyl)-4,6-dichlorophenoxy]methyl]-1,3-oxazolidin-2-one

5-[[2-(aminomethyl)-4,6-dichlorophenoxy]methyl]-1,3-oxazolidin-2-one (PubChem CID 60889428) has the molecular formula C11H12Cl2N2O3 and a molecular weight of 291.13 g/mol. Its IUPAC name is 5-[[2-(aminomethyl)-4,6-dichlorophenoxy]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[[2-(aminomethyl)-4,6-dichlorophenoxy]methyl]-1,3-oxazolidin-2-one
PubChem CID60889428
Molecular FormulaC11H12Cl2N2O3
Molecular Weight291.13 g/mol
Exact Mass290.02
IUPAC Name5-[[2-(aminomethyl)-4,6-dichlorophenoxy]methyl]-1,3-oxazolidin-2-one
SMILESNCc1cc(Cl)cc(Cl)c1OCC1CNC(=O)O1
InChIInChI=1S/C11H12Cl2N2O3/c12-7-1-6(3-14)10(9(13)2-7)17-5-8-4-15-11(16)18-8/h1-2,8H,3-5,14H2,(H,15,16)
InChIKeyBYRNQFUGOHYZDY-UHFFFAOYSA-N
XLogP1.94
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.13
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[[2-(aminomethyl)-4,6-dichlorophenoxy]methyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

5-[[2-(aminomethyl)-4-chloro-6-methoxyphenoxy]methyl]-1,3-oxazolidin-2-one
CID 104664108
5-[[2,4-dichloro-6-(ethylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one
CID 60889826
5-[[2-(aminomethyl)-4-chlorophenoxy]methyl]-1,3-oxazolidin-2-one
CID 60878892
5-[[2-(aminomethyl)-4-methylphenoxy]methyl]-1,3-oxazolidin-2-one
CID 55205308
5-[[2-[(tert-butylamino)methyl]-6-chlorophenoxy]methyl]-1,3-oxazolidin-2-one
CID 115954681
(5R)-5-[[2,6-dibromo-4-[(5S)-2-oxo-1,3-oxazolidin-5-yl]phenoxy]methyl]-1,3-oxazolidin-2-one
CID 162996076
5-[(6-amino-2,3-difluorophenoxy)methyl]-1,3-oxazolidin-2-one
CID 117095688
5-[(5-chloro-2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one
CID 21496492
3-chloro-2-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzoic acid
CID 112612064
3-[2-(aminomethyl)-4,6-dichlorophenoxy]oxolan-2-one
CID 60887506
5-[[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]methyl]-1,3-oxazolidin-2-one
CID 63364467
(3,5-dichloro-2-octoxyphenyl)methanamine
CID 43515616

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(aminomethyl)-4,6-dichlorophenoxy]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[[2-(aminomethyl)-4,6-dichlorophenoxy]methyl]-1,3-oxazolidin-2-one (CID 60889428) is 5-[[2-(aminomethyl)-4,6-dichlorophenoxy]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[[2-(aminomethyl)-4,6-dichlorophenoxy]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[[2-(aminomethyl)-4,6-dichlorophenoxy]methyl]-1,3-oxazolidin-2-one is NCc1cc(Cl)cc(Cl)c1OCC1CNC(=O)O1.
What is the InChIKey of 5-[[2-(aminomethyl)-4,6-dichlorophenoxy]methyl]-1,3-oxazolidin-2-one?
The InChIKey is BYRNQFUGOHYZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O3/c12-7-1-6(3-14)10(9(13)2-7)17-5-8-4-15-11(16)18-8/h1-2,8H,3-5,14H2,(H,15,16).
What are the key properties of 5-[[2-(aminomethyl)-4,6-dichlorophenoxy]methyl]-1,3-oxazolidin-2-one?
5-[[2-(aminomethyl)-4,6-dichlorophenoxy]methyl]-1,3-oxazolidin-2-one has a molecular weight of 291.13 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(aminomethyl)-4,6-dichlorophenoxy]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 60889428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).