3-[2-[2-(3-fluorophenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one

C15H16FN3O4 — CID 45236871

IUPAC3-[2-[2-(3-fluorophenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
SMILESO=C1NCCN(C(=O)CN2CCOC2=O)C1c1cccc(F)c1
InChIInChI=1S/C15H16FN3O4/c16-11-3-1-2-10(8-11)13-14(21)17-4-5-19(13)12(20)9-18-6-7-23-15(18)22/h1-3,8,13H,4-7,9H2,(H,17,21)
InChIKeyPLRNJHDNXKFSEE-UHFFFAOYSA-N
MW321.31 g/mol
LogP0.28
Rot. Bonds3

About 3-[2-[2-(3-fluorophenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one

3-[2-[2-(3-fluorophenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one (PubChem CID 45236871) has the molecular formula C15H16FN3O4 and a molecular weight of 321.31 g/mol. Its IUPAC name is 3-[2-[2-(3-fluorophenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[2-(3-fluorophenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
PubChem CID45236871
Molecular FormulaC15H16FN3O4
Molecular Weight321.31 g/mol
Exact Mass321.11
IUPAC Name3-[2-[2-(3-fluorophenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
SMILESO=C1NCCN(C(=O)CN2CCOC2=O)C1c1cccc(F)c1
InChIInChI=1S/C15H16FN3O4/c16-11-3-1-2-10(8-11)13-14(21)17-4-5-19(13)12(20)9-18-6-7-23-15(18)22/h1-3,8,13H,4-7,9H2,(H,17,21)
InChIKeyPLRNJHDNXKFSEE-UHFFFAOYSA-N
XLogP0.28
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.31
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[2-[2-(3-fluorophenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]-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-[2-[2-(3-fluorophenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[2-(3-fluorophenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one (CID 45236871) is 3-[2-[2-(3-fluorophenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[2-(3-fluorophenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[2-(3-fluorophenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one is O=C1NCCN(C(=O)CN2CCOC2=O)C1c1cccc(F)c1.
What is the InChIKey of 3-[2-[2-(3-fluorophenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The InChIKey is PLRNJHDNXKFSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O4/c16-11-3-1-2-10(8-11)13-14(21)17-4-5-19(13)12(20)9-18-6-7-23-15(18)22/h1-3,8,13H,4-7,9H2,(H,17,21).
What are the key properties of 3-[2-[2-(3-fluorophenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
3-[2-[2-(3-fluorophenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one has a molecular weight of 321.31 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(3-fluorophenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 45236871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).