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

C11H15ClN2O3 — CID 175895706

IUPAC3-[4-[(1R)-1-amino-2-hydroxyethyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride
SMILESCl.N[C@@H](CO)c1ccc(N2CCOC2=O)cc1
InChIInChI=1S/C11H14N2O3.ClH/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;1H/t10-;/m0./s1
InChIKeyDGFQGZIJDVVMPR-PPHPATTJSA-N
MW258.71 g/mol
LogP1.06
Rot. Bonds3

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

3-[4-[(1R)-1-amino-2-hydroxyethyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride (PubChem CID 175895706) has the molecular formula C11H15ClN2O3 and a molecular weight of 258.71 g/mol. Its IUPAC name is 3-[4-[(1R)-1-amino-2-hydroxyethyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride.

Molecular Properties

Compound Name3-[4-[(1R)-1-amino-2-hydroxyethyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride
PubChem CID175895706
Molecular FormulaC11H15ClN2O3
Molecular Weight258.71 g/mol
Exact Mass258.08
IUPAC Name3-[4-[(1R)-1-amino-2-hydroxyethyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride
SMILESCl.N[C@@H](CO)c1ccc(N2CCOC2=O)cc1
InChIInChI=1S/C11H14N2O3.ClH/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;1H/t10-;/m0./s1
InChIKeyDGFQGZIJDVVMPR-PPHPATTJSA-N
XLogP1.06
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 51.06
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
CID 164875438
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
(2R)-2-amino-2-(4-pyrrolidin-1-ylphenyl)ethanol;hydrochloride
CID 171236557
3-(4-phenylphenyl)-1,3-oxazolidin-2-one
CID 102377598
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;hydrochloride?
The IUPAC name of 3-[4-[(1R)-1-amino-2-hydroxyethyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride (CID 175895706) is 3-[4-[(1R)-1-amino-2-hydroxyethyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride.
What is the SMILES notation for 3-[4-[(1R)-1-amino-2-hydroxyethyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride?
The canonical SMILES for 3-[4-[(1R)-1-amino-2-hydroxyethyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride is Cl.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;hydrochloride?
The InChIKey is DGFQGZIJDVVMPR-PPHPATTJSA-N. The full InChI is InChI=1S/C11H14N2O3.ClH/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;1H/t10-;/m0./s1.
What are the key properties of 3-[4-[(1R)-1-amino-2-hydroxyethyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride?
3-[4-[(1R)-1-amino-2-hydroxyethyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride has a molecular weight of 258.71 g/mol, XLogP of 1.06, 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;hydrochloride is sourced from PubChem (CID 175895706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).