3-[4-[1-(methylamino)ethyl]phenyl]-1,3-oxazolidin-2-one

C12H16N2O2 — CID 65295265

IUPAC3-[4-[1-(methylamino)ethyl]phenyl]-1,3-oxazolidin-2-one
SMILESCNC(C)c1ccc(N2CCOC2=O)cc1
InChIInChI=1S/C12H16N2O2/c1-9(13-2)10-3-5-11(6-4-10)14-7-8-16-12(14)15/h3-6,9,13H,7-8H2,1-2H3
InChIKeyKWPTYHQELPPORU-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.92
Rot. Bonds3

About 3-[4-[1-(methylamino)ethyl]phenyl]-1,3-oxazolidin-2-one

3-[4-[1-(methylamino)ethyl]phenyl]-1,3-oxazolidin-2-one (PubChem CID 65295265) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 3-[4-[1-(methylamino)ethyl]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[4-[1-(methylamino)ethyl]phenyl]-1,3-oxazolidin-2-one
PubChem CID65295265
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name3-[4-[1-(methylamino)ethyl]phenyl]-1,3-oxazolidin-2-one
SMILESCNC(C)c1ccc(N2CCOC2=O)cc1
InChIInChI=1S/C12H16N2O2/c1-9(13-2)10-3-5-11(6-4-10)14-7-8-16-12(14)15/h3-6,9,13H,7-8H2,1-2H3
InChIKeyKWPTYHQELPPORU-UHFFFAOYSA-N
XLogP1.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-[4-(2-oxo-1,3-oxazolidin-3-yl)anilino]ethyl]benzonitrile
CID 71990931
3-[4-[(1S)-1-[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]ethyl]phenyl]-1,3-oxazolidin-2-one
CID 97306715
3-[4-[1-[(5-methyl-3-pyridinyl)amino]ethyl]phenyl]-1,3-oxazolidin-2-one
CID 75497970
3-[4-[(1R)-1-[4-(difluoromethylsulfonyl)anilino]ethyl]phenyl]-1,3-oxazolidin-2-one
CID 95586363
3-[4-[(1R)-1-[[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]ethyl]phenyl]-1,3-oxazolidin-2-one
CID 97088424
1-[(1R)-1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]-3-(1H-pyrazol-4-yl)urea
CID 129369386
1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-(1-pyridin-4-ylethyl)urea
CID 60545573
3-[4-[(1R)-1-amino-2-hydroxyethyl]phenyl]-1,3-oxazolidin-2-one
CID 164875438
3-[4-[(1R)-1-amino-2-hydroxyethyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride
CID 175895706
4-(2-oxo-1,3-oxazolidin-3-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 55686568
3-(4-phenylphenyl)-1,3-oxazolidin-2-one
CID 102377598
N-methyl-1-(4-pyrrolidin-1-ylphenyl)ethanamine
CID 43283919

Frequently Asked Questions

What is the IUPAC name of 3-[4-[1-(methylamino)ethyl]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[4-[1-(methylamino)ethyl]phenyl]-1,3-oxazolidin-2-one (CID 65295265) is 3-[4-[1-(methylamino)ethyl]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[4-[1-(methylamino)ethyl]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[4-[1-(methylamino)ethyl]phenyl]-1,3-oxazolidin-2-one is CNC(C)c1ccc(N2CCOC2=O)cc1.
What is the InChIKey of 3-[4-[1-(methylamino)ethyl]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is KWPTYHQELPPORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-9(13-2)10-3-5-11(6-4-10)14-7-8-16-12(14)15/h3-6,9,13H,7-8H2,1-2H3.
What are the key properties of 3-[4-[1-(methylamino)ethyl]phenyl]-1,3-oxazolidin-2-one?
3-[4-[1-(methylamino)ethyl]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 220.27 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[1-(methylamino)ethyl]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 65295265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).