3-[2-[(6S)-2,2,6-trimethylmorpholin-4-yl]ethyl]-1,3-oxazolidin-2-one

C12H22N2O3 — CID 95238534

IUPAC3-[2-[(6S)-2,2,6-trimethylmorpholin-4-yl]ethyl]-1,3-oxazolidin-2-one
SMILESC[C@H]1CN(CCN2CCOC2=O)CC(C)(C)O1
InChIInChI=1S/C12H22N2O3/c1-10-8-13(9-12(2,3)17-10)4-5-14-6-7-16-11(14)15/h10H,4-9H2,1-3H3/t10-/m0/s1
InChIKeyLJMGNHXYDVUAHU-JTQLQIEISA-N
MW242.32 g/mol
LogP0.94
Rot. Bonds3

About 3-[2-[(6S)-2,2,6-trimethylmorpholin-4-yl]ethyl]-1,3-oxazolidin-2-one

3-[2-[(6S)-2,2,6-trimethylmorpholin-4-yl]ethyl]-1,3-oxazolidin-2-one (PubChem CID 95238534) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-[2-[(6S)-2,2,6-trimethylmorpholin-4-yl]ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[(6S)-2,2,6-trimethylmorpholin-4-yl]ethyl]-1,3-oxazolidin-2-one
PubChem CID95238534
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name3-[2-[(6S)-2,2,6-trimethylmorpholin-4-yl]ethyl]-1,3-oxazolidin-2-one
SMILESC[C@H]1CN(CCN2CCOC2=O)CC(C)(C)O1
InChIInChI=1S/C12H22N2O3/c1-10-8-13(9-12(2,3)17-10)4-5-14-6-7-16-11(14)15/h10H,4-9H2,1-3H3/t10-/m0/s1
InChIKeyLJMGNHXYDVUAHU-JTQLQIEISA-N
XLogP0.94
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[2-[(6S)-2,2,6-trimethylmorpholin-4-yl]ethyl]-1,3-oxazolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

tert-Butyl 6-Oxa-3-azabicyclo(3.1.0)hexane-3-carboxylate
CID 10103880
2-Oxazolidinone, 3-(2-methylpropyl)-5-(4-morpholinylmethyl)-, monohydrobromide
CID 3040571
Tert-butyl 4-(oxiran-2-ylmethyl)piperazine-1-carboxylate
CID 15491146
tert-Butyl 4-(2-hydroxypropyl)piperazine-1-carboxylate
CID 52984109
tert-Butyl 2-cyanomorpholine-4-carboxylate
CID 70700471
2-Pyrrolidin-1-ylethyl 4-methylpiperazine-1-carboxylate
CID 515568
[2-(Dimethylamino)-1-methyl-ethyl] 4-methylpiperazine-1-carboxylate
CID 515580
1-Piperazinecarboxylic acid, 4-methyl-, 2-(diethylamino)-1-methylethyl ester
CID 515581
[2-(Dipropylamino)-1-methyl-ethyl] 4-methylpiperazine-1-carboxylate
CID 515582
3-{2-[(2-Methoxyethyl)(methyl)amino]ethyl}-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70729884
Tert-butyl 2-(fluoromethyl)morpholine-4-carboxylate
CID 121254774
(S)-Tert-butyl 2-(fluoromethyl)morpholine-4-carboxylate
CID 121254775

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(6S)-2,2,6-trimethylmorpholin-4-yl]ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[(6S)-2,2,6-trimethylmorpholin-4-yl]ethyl]-1,3-oxazolidin-2-one (CID 95238534) is 3-[2-[(6S)-2,2,6-trimethylmorpholin-4-yl]ethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[(6S)-2,2,6-trimethylmorpholin-4-yl]ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[(6S)-2,2,6-trimethylmorpholin-4-yl]ethyl]-1,3-oxazolidin-2-one is C[C@H]1CN(CCN2CCOC2=O)CC(C)(C)O1.
What is the InChIKey of 3-[2-[(6S)-2,2,6-trimethylmorpholin-4-yl]ethyl]-1,3-oxazolidin-2-one?
The InChIKey is LJMGNHXYDVUAHU-JTQLQIEISA-N. The full InChI is InChI=1S/C12H22N2O3/c1-10-8-13(9-12(2,3)17-10)4-5-14-6-7-16-11(14)15/h10H,4-9H2,1-3H3/t10-/m0/s1.
What are the key properties of 3-[2-[(6S)-2,2,6-trimethylmorpholin-4-yl]ethyl]-1,3-oxazolidin-2-one?
3-[2-[(6S)-2,2,6-trimethylmorpholin-4-yl]ethyl]-1,3-oxazolidin-2-one has a molecular weight of 242.32 g/mol, XLogP of 0.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(6S)-2,2,6-trimethylmorpholin-4-yl]ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 95238534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).