3-[3-(3-aminophenoxy)propyl]-1,3-oxazolidin-2-one

C12H16N2O3 — CID 43365793

IUPAC3-[3-(3-aminophenoxy)propyl]-1,3-oxazolidin-2-one
SMILESNc1cccc(OCCCN2CCOC2=O)c1
InChIInChI=1S/C12H16N2O3/c13-10-3-1-4-11(9-10)16-7-2-5-14-6-8-17-12(14)15/h1,3-4,9H,2,5-8,13H2
InChIKeyOCDORTNAHYHNFR-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.49
Rot. Bonds5

About 3-[3-(3-aminophenoxy)propyl]-1,3-oxazolidin-2-one

3-[3-(3-aminophenoxy)propyl]-1,3-oxazolidin-2-one (PubChem CID 43365793) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-[3-(3-aminophenoxy)propyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-(3-aminophenoxy)propyl]-1,3-oxazolidin-2-one
PubChem CID43365793
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name3-[3-(3-aminophenoxy)propyl]-1,3-oxazolidin-2-one
SMILESNc1cccc(OCCCN2CCOC2=O)c1
InChIInChI=1S/C12H16N2O3/c13-10-3-1-4-11(9-10)16-7-2-5-14-6-8-17-12(14)15/h1,3-4,9H,2,5-8,13H2
InChIKeyOCDORTNAHYHNFR-UHFFFAOYSA-N
XLogP1.49
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-aminophenoxy)propyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-(3-aminophenoxy)propyl]-1,3-oxazolidin-2-one (CID 43365793) is 3-[3-(3-aminophenoxy)propyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-(3-aminophenoxy)propyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-(3-aminophenoxy)propyl]-1,3-oxazolidin-2-one is Nc1cccc(OCCCN2CCOC2=O)c1.
What is the InChIKey of 3-[3-(3-aminophenoxy)propyl]-1,3-oxazolidin-2-one?
The InChIKey is OCDORTNAHYHNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c13-10-3-1-4-11(9-10)16-7-2-5-14-6-8-17-12(14)15/h1,3-4,9H,2,5-8,13H2.
What are the key properties of 3-[3-(3-aminophenoxy)propyl]-1,3-oxazolidin-2-one?
3-[3-(3-aminophenoxy)propyl]-1,3-oxazolidin-2-one has a molecular weight of 236.27 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-aminophenoxy)propyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 43365793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).