3-[2-(4-aminophenyl)ethyl]-1,3-oxazolidin-2-one

C11H14N2O2 — CID 10703476

IUPAC3-[2-(4-aminophenyl)ethyl]-1,3-oxazolidin-2-one
SMILESNc1ccc(CCN2CCOC2=O)cc1
InChIInChI=1S/C11H14N2O2/c12-10-3-1-9(2-4-10)5-6-13-7-8-15-11(13)14/h1-4H,5-8,12H2
InChIKeyUFZDPIAAXRLUNR-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.26
Rot. Bonds3

About 3-[2-(4-aminophenyl)ethyl]-1,3-oxazolidin-2-one

3-[2-(4-aminophenyl)ethyl]-1,3-oxazolidin-2-one (PubChem CID 10703476) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 3-[2-(4-aminophenyl)ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-(4-aminophenyl)ethyl]-1,3-oxazolidin-2-one
PubChem CID10703476
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name3-[2-(4-aminophenyl)ethyl]-1,3-oxazolidin-2-one
SMILESNc1ccc(CCN2CCOC2=O)cc1
InChIInChI=1S/C11H14N2O2/c12-10-3-1-9(2-4-10)5-6-13-7-8-15-11(13)14/h1-4H,5-8,12H2
InChIKeyUFZDPIAAXRLUNR-UHFFFAOYSA-N
XLogP1.26
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-aminophenyl)ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-(4-aminophenyl)ethyl]-1,3-oxazolidin-2-one (CID 10703476) is 3-[2-(4-aminophenyl)ethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-(4-aminophenyl)ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-(4-aminophenyl)ethyl]-1,3-oxazolidin-2-one is Nc1ccc(CCN2CCOC2=O)cc1.
What is the InChIKey of 3-[2-(4-aminophenyl)ethyl]-1,3-oxazolidin-2-one?
The InChIKey is UFZDPIAAXRLUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c12-10-3-1-9(2-4-10)5-6-13-7-8-15-11(13)14/h1-4H,5-8,12H2.
What are the key properties of 3-[2-(4-aminophenyl)ethyl]-1,3-oxazolidin-2-one?
3-[2-(4-aminophenyl)ethyl]-1,3-oxazolidin-2-one has a molecular weight of 206.25 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-aminophenyl)ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 10703476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).