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

C11H14N2O2 — CID 43297594

IUPAC3-[1-(3-aminophenyl)ethyl]-1,3-oxazolidin-2-one
SMILESCC(c1cccc(N)c1)N1CCOC1=O
InChIInChI=1S/C11H14N2O2/c1-8(13-5-6-15-11(13)14)9-3-2-4-10(12)7-9/h2-4,7-8H,5-6,12H2,1H3
InChIKeyJKTHRVMRFSQMIR-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.78
Rot. Bonds2

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

3-[1-(3-aminophenyl)ethyl]-1,3-oxazolidin-2-one (PubChem CID 43297594) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 3-[1-(3-aminophenyl)ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-(3-aminophenyl)ethyl]-1,3-oxazolidin-2-one
PubChem CID43297594
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name3-[1-(3-aminophenyl)ethyl]-1,3-oxazolidin-2-one
SMILESCC(c1cccc(N)c1)N1CCOC1=O
InChIInChI=1S/C11H14N2O2/c1-8(13-5-6-15-11(13)14)9-3-2-4-10(12)7-9/h2-4,7-8H,5-6,12H2,1H3
InChIKeyJKTHRVMRFSQMIR-UHFFFAOYSA-N
XLogP1.78
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-aminophenyl)ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-(3-aminophenyl)ethyl]-1,3-oxazolidin-2-one (CID 43297594) is 3-[1-(3-aminophenyl)ethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-(3-aminophenyl)ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-(3-aminophenyl)ethyl]-1,3-oxazolidin-2-one is CC(c1cccc(N)c1)N1CCOC1=O.
What is the InChIKey of 3-[1-(3-aminophenyl)ethyl]-1,3-oxazolidin-2-one?
The InChIKey is JKTHRVMRFSQMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-8(13-5-6-15-11(13)14)9-3-2-4-10(12)7-9/h2-4,7-8H,5-6,12H2,1H3.
What are the key properties of 3-[1-(3-aminophenyl)ethyl]-1,3-oxazolidin-2-one?
3-[1-(3-aminophenyl)ethyl]-1,3-oxazolidin-2-one has a molecular weight of 206.25 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-aminophenyl)ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 43297594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).