3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5-phenyl-1,3-oxazolidine-2,4-dione

C21H22FN3O3 — CID 71476457

IUPAC3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5-phenyl-1,3-oxazolidine-2,4-dione
SMILESO=C1OC(c2ccccc2)C(=O)N1CCN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H22FN3O3/c22-17-6-8-18(9-7-17)24-13-10-23(11-14-24)12-15-25-20(26)19(28-21(25)27)16-4-2-1-3-5-16/h1-9,19H,10-15H2
InChIKeyNGKFPBYOWOUBLD-UHFFFAOYSA-N
MW383.42 g/mol
LogP2.67
Rot. Bonds5

About 3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5-phenyl-1,3-oxazolidine-2,4-dione

3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5-phenyl-1,3-oxazolidine-2,4-dione (PubChem CID 71476457) has the molecular formula C21H22FN3O3 and a molecular weight of 383.42 g/mol. Its IUPAC name is 3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5-phenyl-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5-phenyl-1,3-oxazolidine-2,4-dione
PubChem CID71476457
Molecular FormulaC21H22FN3O3
Molecular Weight383.42 g/mol
Exact Mass383.16
IUPAC Name3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5-phenyl-1,3-oxazolidine-2,4-dione
SMILESO=C1OC(c2ccccc2)C(=O)N1CCN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H22FN3O3/c22-17-6-8-18(9-7-17)24-13-10-23(11-14-24)12-15-25-20(26)19(28-21(25)27)16-4-2-1-3-5-16/h1-9,19H,10-15H2
InChIKeyNGKFPBYOWOUBLD-UHFFFAOYSA-N
XLogP2.67
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5-phenyl-1,3-oxazolidine-2,4-dione with MolForge

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

Launch Full Analysis

Related Compounds

(2S)-3-cyclohexyl-1-(morpholin-4-yl)-1-oxopropan-2-yl N-[(2R)-1-(benzyloxy)-3-(5-fluoro-2,3-dihydro-1H-indol-1-yl)propan-2-yl]carbamate
CID 11421700
2-Fluoro-benzoic acid 2-(2,3-dihydro-indol-1-yl)-2-oxo-ethyl ester
CID 1089228
2-(Benzyloxy)-1-(4-(2,4-difluorophenyl)piperazin-1-yl)ethanone
CID 24762955
[2-[4-(4-Fluorophenyl)piperazin-1-yl]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
CID 2621380
2-[4-(4-Fluorophenyl)piperazin-1-yl]-2-oxo-1-phenylethyl acetate
CID 2930820
2-[4-(2-Fluorophenyl)piperazin-1-yl]-2-oxo-1-phenylethyl acetate
CID 2932443
2-[4-(4-Methoxyphenyl)piperazin-1-yl]-2-oxoethyl (4-fluorophenyl)acetate
CID 7669109
5-(4-Fluorophenyl)-3-phenyl-1,3-oxazolidin-2-one
CID 137648272
3-(3-Fluorophenyl)-5-(4-fluorophenyl)-1,3-oxazolidin-2-one
CID 137652444
1'-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-4-methylspiro[1,3-dioxane-2,3'-indol]-2'(1'H)-one
CID 3238567
2-(Benzyloxy)-1-(4-(4-fluorophenyl)piperazin-1-yl)ethanone
CID 24762868
2-(Benzyloxy)-1-(4-phenylpiperazin-1-yl)ethanone
CID 24762951

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5-phenyl-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5-phenyl-1,3-oxazolidine-2,4-dione (CID 71476457) is 3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5-phenyl-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5-phenyl-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5-phenyl-1,3-oxazolidine-2,4-dione is O=C1OC(c2ccccc2)C(=O)N1CCN1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5-phenyl-1,3-oxazolidine-2,4-dione?
The InChIKey is NGKFPBYOWOUBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O3/c22-17-6-8-18(9-7-17)24-13-10-23(11-14-24)12-15-25-20(26)19(28-21(25)27)16-4-2-1-3-5-16/h1-9,19H,10-15H2.
What are the key properties of 3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5-phenyl-1,3-oxazolidine-2,4-dione?
3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5-phenyl-1,3-oxazolidine-2,4-dione has a molecular weight of 383.42 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5-phenyl-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 71476457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).