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

C12H16N2O2 — CID 117314420

IUPAC2-[3-[2-(methylamino)ethyl]phenyl]-1,2-oxazolidin-3-one
SMILESCNCCc1cccc(N2OCCC2=O)c1
InChIInChI=1S/C12H16N2O2/c1-13-7-5-10-3-2-4-11(9-10)14-12(15)6-8-16-14/h2-4,9,13H,5-8H2,1H3
InChIKeyNHHGIHIQESUERS-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.12
Rot. Bonds4

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

2-[3-[2-(methylamino)ethyl]phenyl]-1,2-oxazolidin-3-one (PubChem CID 117314420) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-[3-[2-(methylamino)ethyl]phenyl]-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name2-[3-[2-(methylamino)ethyl]phenyl]-1,2-oxazolidin-3-one
PubChem CID117314420
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-[3-[2-(methylamino)ethyl]phenyl]-1,2-oxazolidin-3-one
SMILESCNCCc1cccc(N2OCCC2=O)c1
InChIInChI=1S/C12H16N2O2/c1-13-7-5-10-3-2-4-11(9-10)14-12(15)6-8-16-14/h2-4,9,13H,5-8H2,1H3
InChIKeyNHHGIHIQESUERS-UHFFFAOYSA-N
XLogP1.12
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[2-(methylamino)ethyl]phenyl]-1,2-oxazolidin-3-one
CID 117314419
2-(3-aminophenyl)-1,2-oxazolidin-3-one
CID 105437344
2-[3-(2-amino-1-hydroxyethyl)phenyl]-1,2-oxazolidin-3-one
CID 117317942
2-[3-[1-(1-aminoethyl)cyclopropyl]phenyl]-1,2-oxazolidin-3-one
CID 117368198
1-[3-(methylaminomethyl)phenyl]piperidin-2-one
CID 63272190
2-[4-(2-aminopropyl)phenyl]-1,2-oxazolidin-3-one
CID 117314462
2-[4-(3-hydroxypropyl)phenyl]-1,2-oxazolidin-3-one
CID 117315639
2-[4-(2-amino-2-methylpropyl)phenyl]-1,2-oxazolidin-3-one
CID 117340817
1-ethyl-6-[2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one
CID 115259576
2-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-1,2-oxazolidin-3-one
CID 117342188
2-[4-(aminooxymethyl)phenyl]-1,2-oxazolidin-3-one
CID 117297320
methyl 3-[2-(methylamino)ethyl]benzoate
CID 59419935

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(methylamino)ethyl]phenyl]-1,2-oxazolidin-3-one?
The IUPAC name of 2-[3-[2-(methylamino)ethyl]phenyl]-1,2-oxazolidin-3-one (CID 117314420) is 2-[3-[2-(methylamino)ethyl]phenyl]-1,2-oxazolidin-3-one.
What is the SMILES notation for 2-[3-[2-(methylamino)ethyl]phenyl]-1,2-oxazolidin-3-one?
The canonical SMILES for 2-[3-[2-(methylamino)ethyl]phenyl]-1,2-oxazolidin-3-one is CNCCc1cccc(N2OCCC2=O)c1.
What is the InChIKey of 2-[3-[2-(methylamino)ethyl]phenyl]-1,2-oxazolidin-3-one?
The InChIKey is NHHGIHIQESUERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-13-7-5-10-3-2-4-11(9-10)14-12(15)6-8-16-14/h2-4,9,13H,5-8H2,1H3.
What are the key properties of 2-[3-[2-(methylamino)ethyl]phenyl]-1,2-oxazolidin-3-one?
2-[3-[2-(methylamino)ethyl]phenyl]-1,2-oxazolidin-3-one has a molecular weight of 220.27 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(methylamino)ethyl]phenyl]-1,2-oxazolidin-3-one is sourced from PubChem (CID 117314420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).