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

C14H20N2O2 — CID 65295167

IUPAC3-[3-[1-(propylamino)ethyl]phenyl]-1,3-oxazolidin-2-one
SMILESCCCNC(C)c1cccc(N2CCOC2=O)c1
InChIInChI=1S/C14H20N2O2/c1-3-7-15-11(2)12-5-4-6-13(10-12)16-8-9-18-14(16)17/h4-6,10-11,15H,3,7-9H2,1-2H3
InChIKeyKUMGUECNJGWPDK-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.70
Rot. Bonds5

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

3-[3-[1-(propylamino)ethyl]phenyl]-1,3-oxazolidin-2-one (PubChem CID 65295167) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-[3-[1-(propylamino)ethyl]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-[1-(propylamino)ethyl]phenyl]-1,3-oxazolidin-2-one
PubChem CID65295167
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-[3-[1-(propylamino)ethyl]phenyl]-1,3-oxazolidin-2-one
SMILESCCCNC(C)c1cccc(N2CCOC2=O)c1
InChIInChI=1S/C14H20N2O2/c1-3-7-15-11(2)12-5-4-6-13(10-12)16-8-9-18-14(16)17/h4-6,10-11,15H,3,7-9H2,1-2H3
InChIKeyKUMGUECNJGWPDK-UHFFFAOYSA-N
XLogP2.70
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[3-[1-(propylamino)ethyl]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-[3-[1-(propylamino)ethyl]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-[1-(propylamino)ethyl]phenyl]-1,3-oxazolidin-2-one (CID 65295167) is 3-[3-[1-(propylamino)ethyl]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-[1-(propylamino)ethyl]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-[1-(propylamino)ethyl]phenyl]-1,3-oxazolidin-2-one is CCCNC(C)c1cccc(N2CCOC2=O)c1.
What is the InChIKey of 3-[3-[1-(propylamino)ethyl]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is KUMGUECNJGWPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-7-15-11(2)12-5-4-6-13(10-12)16-8-9-18-14(16)17/h4-6,10-11,15H,3,7-9H2,1-2H3.
What are the key properties of 3-[3-[1-(propylamino)ethyl]phenyl]-1,3-oxazolidin-2-one?
3-[3-[1-(propylamino)ethyl]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 248.33 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[1-(propylamino)ethyl]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 65295167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).