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

C13H18N2O2 — CID 106913294

IUPAC3-[4-(propylaminomethyl)phenyl]-1,3-oxazolidin-2-one
SMILESCCCNCc1ccc(N2CCOC2=O)cc1
InChIInChI=1S/C13H18N2O2/c1-2-7-14-10-11-3-5-12(6-4-11)15-8-9-17-13(15)16/h3-6,14H,2,7-10H2,1H3
InChIKeyLQIIAAPAQWTSCU-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.14
Rot. Bonds5

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

3-[4-(propylaminomethyl)phenyl]-1,3-oxazolidin-2-one (PubChem CID 106913294) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-[4-(propylaminomethyl)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[4-(propylaminomethyl)phenyl]-1,3-oxazolidin-2-one
PubChem CID106913294
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name3-[4-(propylaminomethyl)phenyl]-1,3-oxazolidin-2-one
SMILESCCCNCc1ccc(N2CCOC2=O)cc1
InChIInChI=1S/C13H18N2O2/c1-2-7-14-10-11-3-5-12(6-4-11)15-8-9-17-13(15)16/h3-6,14H,2,7-10H2,1H3
InChIKeyLQIIAAPAQWTSCU-UHFFFAOYSA-N
XLogP2.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[4-(propylaminomethyl)phenyl]-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-(propylaminomethyl)phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[4-(propylaminomethyl)phenyl]-1,3-oxazolidin-2-one (CID 106913294) is 3-[4-(propylaminomethyl)phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[4-(propylaminomethyl)phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[4-(propylaminomethyl)phenyl]-1,3-oxazolidin-2-one is CCCNCc1ccc(N2CCOC2=O)cc1.
What is the InChIKey of 3-[4-(propylaminomethyl)phenyl]-1,3-oxazolidin-2-one?
The InChIKey is LQIIAAPAQWTSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-2-7-14-10-11-3-5-12(6-4-11)15-8-9-17-13(15)16/h3-6,14H,2,7-10H2,1H3.
What are the key properties of 3-[4-(propylaminomethyl)phenyl]-1,3-oxazolidin-2-one?
3-[4-(propylaminomethyl)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 234.30 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(propylaminomethyl)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 106913294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).