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

C10H12N2O3 — CID 117297320

IUPAC2-[4-(aminooxymethyl)phenyl]-1,2-oxazolidin-3-one
SMILESNOCc1ccc(N2OCCC2=O)cc1
InChIInChI=1S/C10H12N2O3/c11-14-7-8-1-3-9(4-2-8)12-10(13)5-6-15-12/h1-4H,5-7,11H2
InChIKeyYVEDYIMCSHIKHN-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.75
Rot. Bonds3

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

2-[4-(aminooxymethyl)phenyl]-1,2-oxazolidin-3-one (PubChem CID 117297320) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2-[4-(aminooxymethyl)phenyl]-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name2-[4-(aminooxymethyl)phenyl]-1,2-oxazolidin-3-one
PubChem CID117297320
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name2-[4-(aminooxymethyl)phenyl]-1,2-oxazolidin-3-one
SMILESNOCc1ccc(N2OCCC2=O)cc1
InChIInChI=1S/C10H12N2O3/c11-14-7-8-1-3-9(4-2-8)12-10(13)5-6-15-12/h1-4H,5-7,11H2
InChIKeyYVEDYIMCSHIKHN-UHFFFAOYSA-N
XLogP0.75
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminooxymethyl)phenyl]-1,2-oxazolidin-3-one?
The IUPAC name of 2-[4-(aminooxymethyl)phenyl]-1,2-oxazolidin-3-one (CID 117297320) is 2-[4-(aminooxymethyl)phenyl]-1,2-oxazolidin-3-one.
What is the SMILES notation for 2-[4-(aminooxymethyl)phenyl]-1,2-oxazolidin-3-one?
The canonical SMILES for 2-[4-(aminooxymethyl)phenyl]-1,2-oxazolidin-3-one is NOCc1ccc(N2OCCC2=O)cc1.
What is the InChIKey of 2-[4-(aminooxymethyl)phenyl]-1,2-oxazolidin-3-one?
The InChIKey is YVEDYIMCSHIKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c11-14-7-8-1-3-9(4-2-8)12-10(13)5-6-15-12/h1-4H,5-7,11H2.
What are the key properties of 2-[4-(aminooxymethyl)phenyl]-1,2-oxazolidin-3-one?
2-[4-(aminooxymethyl)phenyl]-1,2-oxazolidin-3-one has a molecular weight of 208.22 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminooxymethyl)phenyl]-1,2-oxazolidin-3-one is sourced from PubChem (CID 117297320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).