3-(3-fluorophenyl)-4-[3-(1,2-oxazolidin-2-yl)propanoyl]piperazin-2-one

C16H20FN3O3 — CID 45219816

IUPAC3-(3-fluorophenyl)-4-[3-(1,2-oxazolidin-2-yl)propanoyl]piperazin-2-one
SMILESO=C1NCCN(C(=O)CCN2CCCO2)C1c1cccc(F)c1
InChIInChI=1S/C16H20FN3O3/c17-13-4-1-3-12(11-13)15-16(22)18-6-9-20(15)14(21)5-8-19-7-2-10-23-19/h1,3-4,11,15H,2,5-10H2,(H,18,22)
InChIKeyZUMBLEPOUPSCKP-UHFFFAOYSA-N
MW321.35 g/mol
LogP0.85
Rot. Bonds4

About 3-(3-fluorophenyl)-4-[3-(1,2-oxazolidin-2-yl)propanoyl]piperazin-2-one

3-(3-fluorophenyl)-4-[3-(1,2-oxazolidin-2-yl)propanoyl]piperazin-2-one (PubChem CID 45219816) has the molecular formula C16H20FN3O3 and a molecular weight of 321.35 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-4-[3-(1,2-oxazolidin-2-yl)propanoyl]piperazin-2-one.

Molecular Properties

Compound Name3-(3-fluorophenyl)-4-[3-(1,2-oxazolidin-2-yl)propanoyl]piperazin-2-one
PubChem CID45219816
Molecular FormulaC16H20FN3O3
Molecular Weight321.35 g/mol
Exact Mass321.15
IUPAC Name3-(3-fluorophenyl)-4-[3-(1,2-oxazolidin-2-yl)propanoyl]piperazin-2-one
SMILESO=C1NCCN(C(=O)CCN2CCCO2)C1c1cccc(F)c1
InChIInChI=1S/C16H20FN3O3/c17-13-4-1-3-12(11-13)15-16(22)18-6-9-20(15)14(21)5-8-19-7-2-10-23-19/h1,3-4,11,15H,2,5-10H2,(H,18,22)
InChIKeyZUMBLEPOUPSCKP-UHFFFAOYSA-N
XLogP0.85
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(3-fluorophenyl)-4-[3-(1,2-oxazolidin-2-yl)propanoyl]piperazin-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-fluorophenyl)-4-[3-(1,2-oxazolidin-2-yl)propanoyl]piperazin-2-one?
The IUPAC name of 3-(3-fluorophenyl)-4-[3-(1,2-oxazolidin-2-yl)propanoyl]piperazin-2-one (CID 45219816) is 3-(3-fluorophenyl)-4-[3-(1,2-oxazolidin-2-yl)propanoyl]piperazin-2-one.
What is the SMILES notation for 3-(3-fluorophenyl)-4-[3-(1,2-oxazolidin-2-yl)propanoyl]piperazin-2-one?
The canonical SMILES for 3-(3-fluorophenyl)-4-[3-(1,2-oxazolidin-2-yl)propanoyl]piperazin-2-one is O=C1NCCN(C(=O)CCN2CCCO2)C1c1cccc(F)c1.
What is the InChIKey of 3-(3-fluorophenyl)-4-[3-(1,2-oxazolidin-2-yl)propanoyl]piperazin-2-one?
The InChIKey is ZUMBLEPOUPSCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O3/c17-13-4-1-3-12(11-13)15-16(22)18-6-9-20(15)14(21)5-8-19-7-2-10-23-19/h1,3-4,11,15H,2,5-10H2,(H,18,22).
What are the key properties of 3-(3-fluorophenyl)-4-[3-(1,2-oxazolidin-2-yl)propanoyl]piperazin-2-one?
3-(3-fluorophenyl)-4-[3-(1,2-oxazolidin-2-yl)propanoyl]piperazin-2-one has a molecular weight of 321.35 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-4-[3-(1,2-oxazolidin-2-yl)propanoyl]piperazin-2-one is sourced from PubChem (CID 45219816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).