3-[4-[(1R)-1-amino-2-hydroxyethyl]phenyl]-1,3-oxazolidin-2-one

C11H14N2O3 — CID 164875438

IUPAC3-[4-[(1R)-1-amino-2-hydroxyethyl]phenyl]-1,3-oxazolidin-2-one
SMILESN[C@@H](CO)c1ccc(N2CCOC2=O)cc1
InChIInChI=1S/C11H14N2O3/c12-10(7-14)8-1-3-9(4-2-8)13-5-6-16-11(13)15/h1-4,10,14H,5-7,12H2/t10-/m0/s1
InChIKeyOEGKZEMXGMKTCQ-JTQLQIEISA-N
MW222.24 g/mol
LogP0.64
Rot. Bonds3

About 3-[4-[(1R)-1-amino-2-hydroxyethyl]phenyl]-1,3-oxazolidin-2-one

3-[4-[(1R)-1-amino-2-hydroxyethyl]phenyl]-1,3-oxazolidin-2-one (PubChem CID 164875438) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 3-[4-[(1R)-1-amino-2-hydroxyethyl]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[4-[(1R)-1-amino-2-hydroxyethyl]phenyl]-1,3-oxazolidin-2-one
PubChem CID164875438
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name3-[4-[(1R)-1-amino-2-hydroxyethyl]phenyl]-1,3-oxazolidin-2-one
SMILESN[C@@H](CO)c1ccc(N2CCOC2=O)cc1
InChIInChI=1S/C11H14N2O3/c12-10(7-14)8-1-3-9(4-2-8)13-5-6-16-11(13)15/h1-4,10,14H,5-7,12H2/t10-/m0/s1
InChIKeyOEGKZEMXGMKTCQ-JTQLQIEISA-N
XLogP0.64
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[(1R)-1-amino-2-hydroxyethyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride
CID 175895706
3-[4-(2-hydroxyethyl)phenyl]-1,3-oxazolidin-2-one
CID 23020757
3-[4-[1-(methylamino)ethyl]phenyl]-1,3-oxazolidin-2-one
CID 65295265
3-(4-phenylphenyl)-1,3-oxazolidin-2-one
CID 102377598
(2R)-2-amino-2-(4-pyrrolidin-1-ylphenyl)ethanol;hydrochloride
CID 171236557
3-(4-amino-3-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 89289415
[(1R)-3-(4-hydroxypiperidin-1-yl)-1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propyl] carbamate
CID 177296654
3-(4-cyclohexylphenyl)-1,3-oxazolidin-2-one
CID 170782737
3-[4-(propylaminomethyl)phenyl]-1,3-oxazolidin-2-one
CID 106913294
N,N-diethyl-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide
CID 52587818
3-[4-(2-hydroxyethyl)phenyl]-1,3-oxazinan-2-one
CID 104549227
2-anilinoethanol;3-phenyl-1,3-oxazolidin-2-one
CID 160590052

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(1R)-1-amino-2-hydroxyethyl]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[4-[(1R)-1-amino-2-hydroxyethyl]phenyl]-1,3-oxazolidin-2-one (CID 164875438) is 3-[4-[(1R)-1-amino-2-hydroxyethyl]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[4-[(1R)-1-amino-2-hydroxyethyl]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[4-[(1R)-1-amino-2-hydroxyethyl]phenyl]-1,3-oxazolidin-2-one is N[C@@H](CO)c1ccc(N2CCOC2=O)cc1.
What is the InChIKey of 3-[4-[(1R)-1-amino-2-hydroxyethyl]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is OEGKZEMXGMKTCQ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H14N2O3/c12-10(7-14)8-1-3-9(4-2-8)13-5-6-16-11(13)15/h1-4,10,14H,5-7,12H2/t10-/m0/s1.
What are the key properties of 3-[4-[(1R)-1-amino-2-hydroxyethyl]phenyl]-1,3-oxazolidin-2-one?
3-[4-[(1R)-1-amino-2-hydroxyethyl]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 222.24 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(1R)-1-amino-2-hydroxyethyl]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 164875438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).