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

C11H13ClN2O3 — CID 60878892

IUPAC5-[[2-(aminomethyl)-4-chlorophenoxy]methyl]-1,3-oxazolidin-2-one
SMILESNCc1cc(Cl)ccc1OCC1CNC(=O)O1
InChIInChI=1S/C11H13ClN2O3/c12-8-1-2-10(7(3-8)4-13)16-6-9-5-14-11(15)17-9/h1-3,9H,4-6,13H2,(H,14,15)
InChIKeyGNLYJHVVZWCJMG-UHFFFAOYSA-N
MW256.69 g/mol
LogP1.29
Rot. Bonds4

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

5-[[2-(aminomethyl)-4-chlorophenoxy]methyl]-1,3-oxazolidin-2-one (PubChem CID 60878892) has the molecular formula C11H13ClN2O3 and a molecular weight of 256.69 g/mol. Its IUPAC name is 5-[[2-(aminomethyl)-4-chlorophenoxy]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[[2-(aminomethyl)-4-chlorophenoxy]methyl]-1,3-oxazolidin-2-one
PubChem CID60878892
Molecular FormulaC11H13ClN2O3
Molecular Weight256.69 g/mol
Exact Mass256.06
IUPAC Name5-[[2-(aminomethyl)-4-chlorophenoxy]methyl]-1,3-oxazolidin-2-one
SMILESNCc1cc(Cl)ccc1OCC1CNC(=O)O1
InChIInChI=1S/C11H13ClN2O3/c12-8-1-2-10(7(3-8)4-13)16-6-9-5-14-11(15)17-9/h1-3,9H,4-6,13H2,(H,14,15)
InChIKeyGNLYJHVVZWCJMG-UHFFFAOYSA-N
XLogP1.29
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[2-(aminomethyl)-4-methylphenoxy]methyl]-1,3-oxazolidin-2-one
CID 55205308
5-[(5-chloro-2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one
CID 21496492
5-[[2-(aminomethyl)-4,6-dichlorophenoxy]methyl]-1,3-oxazolidin-2-one
CID 60889428
5-[[2-(aminomethyl)-4-chloro-6-methoxyphenoxy]methyl]-1,3-oxazolidin-2-one
CID 104664108
5-[[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]methyl]-1,3-oxazolidin-2-one
CID 63364467
5-[[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]methyl]-1,3-oxazolidin-2-one
CID 62073547
5-[[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]methyl]-1,3-oxazolidin-2-one
CID 107696499
(5S)-5-[[4-[[(5R)-2-oxo-1,3-oxazolidin-5-yl]methoxy]phenoxy]methyl]-1,3-oxazolidin-2-one
CID 950474
3-fluoro-4-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzaldehyde
CID 107689602
[5-chloro-2-(cyclohexylmethoxy)phenyl]methanamine
CID 43141776
CID 66849130
CID 66849130
5-[[2-(ethylaminomethyl)-4-fluorophenoxy]methyl]-1,3-oxazolidin-2-one
CID 107695754

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(aminomethyl)-4-chlorophenoxy]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[[2-(aminomethyl)-4-chlorophenoxy]methyl]-1,3-oxazolidin-2-one (CID 60878892) is 5-[[2-(aminomethyl)-4-chlorophenoxy]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[[2-(aminomethyl)-4-chlorophenoxy]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[[2-(aminomethyl)-4-chlorophenoxy]methyl]-1,3-oxazolidin-2-one is NCc1cc(Cl)ccc1OCC1CNC(=O)O1.
What is the InChIKey of 5-[[2-(aminomethyl)-4-chlorophenoxy]methyl]-1,3-oxazolidin-2-one?
The InChIKey is GNLYJHVVZWCJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O3/c12-8-1-2-10(7(3-8)4-13)16-6-9-5-14-11(15)17-9/h1-3,9H,4-6,13H2,(H,14,15).
What are the key properties of 5-[[2-(aminomethyl)-4-chlorophenoxy]methyl]-1,3-oxazolidin-2-one?
5-[[2-(aminomethyl)-4-chlorophenoxy]methyl]-1,3-oxazolidin-2-one has a molecular weight of 256.69 g/mol, XLogP of 1.29, 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-chlorophenoxy]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 60878892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).