3-[3-fluoro-4-(3-fluoro-4-piperazin-1-ylphenyl)phenyl]-5-(methylsulfanylmethyl)-1,3-oxazolidin-2-one

C21H23F2N3O2S — CID 69154674

IUPAC3-[3-fluoro-4-(3-fluoro-4-piperazin-1-ylphenyl)phenyl]-5-(methylsulfanylmethyl)-1,3-oxazolidin-2-one
SMILESCSCC1CN(c2ccc(-c3ccc(N4CCNCC4)c(F)c3)c(F)c2)C(=O)O1
InChIInChI=1S/C21H23F2N3O2S/c1-29-13-16-12-26(21(27)28-16)15-3-4-17(18(22)11-15)14-2-5-20(19(23)10-14)25-8-6-24-7-9-25/h2-5,10-11,16,24H,6-9,12-13H2,1H3
InChIKeyWUTFBGZFLODXPW-UHFFFAOYSA-N
MW419.50 g/mol
LogP3.73
Rot. Bonds5

About 3-[3-fluoro-4-(3-fluoro-4-piperazin-1-ylphenyl)phenyl]-5-(methylsulfanylmethyl)-1,3-oxazolidin-2-one

3-[3-fluoro-4-(3-fluoro-4-piperazin-1-ylphenyl)phenyl]-5-(methylsulfanylmethyl)-1,3-oxazolidin-2-one (PubChem CID 69154674) has the molecular formula C21H23F2N3O2S and a molecular weight of 419.50 g/mol. Its IUPAC name is 3-[3-fluoro-4-(3-fluoro-4-piperazin-1-ylphenyl)phenyl]-5-(methylsulfanylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-fluoro-4-(3-fluoro-4-piperazin-1-ylphenyl)phenyl]-5-(methylsulfanylmethyl)-1,3-oxazolidin-2-one
PubChem CID69154674
Molecular FormulaC21H23F2N3O2S
Molecular Weight419.50 g/mol
Exact Mass419.15
IUPAC Name3-[3-fluoro-4-(3-fluoro-4-piperazin-1-ylphenyl)phenyl]-5-(methylsulfanylmethyl)-1,3-oxazolidin-2-one
SMILESCSCC1CN(c2ccc(-c3ccc(N4CCNCC4)c(F)c3)c(F)c2)C(=O)O1
InChIInChI=1S/C21H23F2N3O2S/c1-29-13-16-12-26(21(27)28-16)15-3-4-17(18(22)11-15)14-2-5-20(19(23)10-14)25-8-6-24-7-9-25/h2-5,10-11,16,24H,6-9,12-13H2,1H3
InChIKeyWUTFBGZFLODXPW-UHFFFAOYSA-N
XLogP3.73
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[3-fluoro-4-(3-fluoro-4-piperazin-1-ylphenyl)phenyl]-5-(methylsulfanylmethyl)-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

Related Compounds

N-[[3-[3-fluoro-4-(3-fluoro-4-piperazin-1-ylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 68938305
5-(aminomethyl)-3-(3-fluoro-4-piperazin-1-ylphenyl)-1,3-oxazolidin-2-one
CID 22509418
(5S)-5-(aminomethyl)-3-(3-fluoro-4-piperazin-1-ylphenyl)-1,3-oxazolidin-2-one;formaldehyde
CID 91132691
(5R)-3-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;(5R)-3-(3-fluoro-4-piperazin-1-ylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 162135714
2-[3-[3-fluoro-4-[3-fluoro-4-(4-oxopiperidin-1-yl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]ethanesulfonic acid
CID 87630050
5-(aminomethyl)-3-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1,3-oxazolidin-2-one
CID 68676117
(5R)-3-(3-fluoro-4-piperazin-1-ylphenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;dihydrochloride
CID 69364107
2-amino-N-[[(5S)-3-(3-fluoro-4-piperazin-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-methylpentanamide
CID 10069965
N-[[3-[4-[4-(4,4-dimethoxypiperidin-1-yl)-3-fluorophenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 68943843
tert-butyl N-[[(5S)-3-(3-fluoro-4-piperazin-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate;formaldehyde
CID 91500548
(5R)-3-[3-fluoro-4-(4-methylpiperidin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 10566736
3-[3-fluoro-4-(4-oxopiperidin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 68698798

Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-4-(3-fluoro-4-piperazin-1-ylphenyl)phenyl]-5-(methylsulfanylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-fluoro-4-(3-fluoro-4-piperazin-1-ylphenyl)phenyl]-5-(methylsulfanylmethyl)-1,3-oxazolidin-2-one (CID 69154674) is 3-[3-fluoro-4-(3-fluoro-4-piperazin-1-ylphenyl)phenyl]-5-(methylsulfanylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-fluoro-4-(3-fluoro-4-piperazin-1-ylphenyl)phenyl]-5-(methylsulfanylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-fluoro-4-(3-fluoro-4-piperazin-1-ylphenyl)phenyl]-5-(methylsulfanylmethyl)-1,3-oxazolidin-2-one is CSCC1CN(c2ccc(-c3ccc(N4CCNCC4)c(F)c3)c(F)c2)C(=O)O1.
What is the InChIKey of 3-[3-fluoro-4-(3-fluoro-4-piperazin-1-ylphenyl)phenyl]-5-(methylsulfanylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is WUTFBGZFLODXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N3O2S/c1-29-13-16-12-26(21(27)28-16)15-3-4-17(18(22)11-15)14-2-5-20(19(23)10-14)25-8-6-24-7-9-25/h2-5,10-11,16,24H,6-9,12-13H2,1H3.
What are the key properties of 3-[3-fluoro-4-(3-fluoro-4-piperazin-1-ylphenyl)phenyl]-5-(methylsulfanylmethyl)-1,3-oxazolidin-2-one?
3-[3-fluoro-4-(3-fluoro-4-piperazin-1-ylphenyl)phenyl]-5-(methylsulfanylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 419.50 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-4-(3-fluoro-4-piperazin-1-ylphenyl)phenyl]-5-(methylsulfanylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 69154674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).