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

C11H14N2O3 — CID 117317942

IUPAC2-[3-(2-amino-1-hydroxyethyl)phenyl]-1,2-oxazolidin-3-one
SMILESNCC(O)c1cccc(N2OCCC2=O)c1
InChIInChI=1S/C11H14N2O3/c12-7-10(14)8-2-1-3-9(6-8)13-11(15)4-5-16-13/h1-3,6,10,14H,4-5,7,12H2
InChIKeyLQOSQTCVUFRTJT-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.35
Rot. Bonds3

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

2-[3-(2-amino-1-hydroxyethyl)phenyl]-1,2-oxazolidin-3-one (PubChem CID 117317942) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-[3-(2-amino-1-hydroxyethyl)phenyl]-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name2-[3-(2-amino-1-hydroxyethyl)phenyl]-1,2-oxazolidin-3-one
PubChem CID117317942
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name2-[3-(2-amino-1-hydroxyethyl)phenyl]-1,2-oxazolidin-3-one
SMILESNCC(O)c1cccc(N2OCCC2=O)c1
InChIInChI=1S/C11H14N2O3/c12-7-10(14)8-2-1-3-9(6-8)13-11(15)4-5-16-13/h1-3,6,10,14H,4-5,7,12H2
InChIKeyLQOSQTCVUFRTJT-UHFFFAOYSA-N
XLogP0.35
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 ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-amino-1-hydroxyethyl)phenyl]-1,2-oxazolidin-3-one?
The IUPAC name of 2-[3-(2-amino-1-hydroxyethyl)phenyl]-1,2-oxazolidin-3-one (CID 117317942) is 2-[3-(2-amino-1-hydroxyethyl)phenyl]-1,2-oxazolidin-3-one.
What is the SMILES notation for 2-[3-(2-amino-1-hydroxyethyl)phenyl]-1,2-oxazolidin-3-one?
The canonical SMILES for 2-[3-(2-amino-1-hydroxyethyl)phenyl]-1,2-oxazolidin-3-one is NCC(O)c1cccc(N2OCCC2=O)c1.
What is the InChIKey of 2-[3-(2-amino-1-hydroxyethyl)phenyl]-1,2-oxazolidin-3-one?
The InChIKey is LQOSQTCVUFRTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c12-7-10(14)8-2-1-3-9(6-8)13-11(15)4-5-16-13/h1-3,6,10,14H,4-5,7,12H2.
What are the key properties of 2-[3-(2-amino-1-hydroxyethyl)phenyl]-1,2-oxazolidin-3-one?
2-[3-(2-amino-1-hydroxyethyl)phenyl]-1,2-oxazolidin-3-one has a molecular weight of 222.24 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-amino-1-hydroxyethyl)phenyl]-1,2-oxazolidin-3-one is sourced from PubChem (CID 117317942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).