3-(3-fluoro-4-tritylsulfanylphenyl)-4-methyl-1,3-oxazolidin-2-one

C29H24FNO2S — CID 141032225

IUPAC3-(3-fluoro-4-tritylsulfanylphenyl)-4-methyl-1,3-oxazolidin-2-one
SMILESCC1COC(=O)N1c1ccc(SC(c2ccccc2)(c2ccccc2)c2ccccc2)c(F)c1
InChIInChI=1S/C29H24FNO2S/c1-21-20-33-28(32)31(21)25-17-18-27(26(30)19-25)34-29(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-19,21H,20H2,1H3
InChIKeyMRDKPFSIBQNPPR-UHFFFAOYSA-N
MW469.58 g/mol
LogP7.26
Rot. Bonds6

About 3-(3-fluoro-4-tritylsulfanylphenyl)-4-methyl-1,3-oxazolidin-2-one

3-(3-fluoro-4-tritylsulfanylphenyl)-4-methyl-1,3-oxazolidin-2-one (PubChem CID 141032225) has the molecular formula C29H24FNO2S and a molecular weight of 469.58 g/mol. Its IUPAC name is 3-(3-fluoro-4-tritylsulfanylphenyl)-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(3-fluoro-4-tritylsulfanylphenyl)-4-methyl-1,3-oxazolidin-2-one
PubChem CID141032225
Molecular FormulaC29H24FNO2S
Molecular Weight469.58 g/mol
Exact Mass469.15
IUPAC Name3-(3-fluoro-4-tritylsulfanylphenyl)-4-methyl-1,3-oxazolidin-2-one
SMILESCC1COC(=O)N1c1ccc(SC(c2ccccc2)(c2ccccc2)c2ccccc2)c(F)c1
InChIInChI=1S/C29H24FNO2S/c1-21-20-33-28(32)31(21)25-17-18-27(26(30)19-25)34-29(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-19,21H,20H2,1H3
InChIKeyMRDKPFSIBQNPPR-UHFFFAOYSA-N
XLogP7.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.58
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

(4S)-4-(azidomethyl)-3-(3-fluoro-4-tritylsulfanylphenyl)-1,3-oxazolidin-2-one
CID 22977321
3-(4-chlorophenyl)-4-methyl-1,3-oxazolidin-2-one
CID 14268537
(4R)-3-(3-aminophenyl)-4-methyl-1,3-oxazolidin-2-one
CID 67217943
3-[4-[4-[3-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-3-fluorophenyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride
CID 67381361
4-methyl-3-(4-nitrophenyl)-1,3-oxazolidin-2-one
CID 86166226
4-methyl-3-(2-methylquinazolin-7-yl)-1,3-oxazolidin-2-one
CID 162747781
(4R)-3-(4-fluoro-3-hydroxyphenyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 58393515
(4R)-3-[4-[4-(3-cyclopropyl-5-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-4-methyl-1,3-oxazolidin-2-one
CID 58484736
3-[2-(aminomethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one
CID 105458812
3-[3-fluoro-4-(2-fluorophenyl)phenyl]-4,5-dimethyl-1,3-oxazolidin-2-one
CID 69047132
3-(3-chloro-4-fluorophenyl)-4-ethenyl-1,3-oxazolidin-2-one
CID 10586207
(4S)-3-[3-(1H-indol-2-yl)-1H-indazol-5-yl]-4-methyl-1,3-oxazolidin-2-one
CID 155316605

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-tritylsulfanylphenyl)-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-(3-fluoro-4-tritylsulfanylphenyl)-4-methyl-1,3-oxazolidin-2-one (CID 141032225) is 3-(3-fluoro-4-tritylsulfanylphenyl)-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(3-fluoro-4-tritylsulfanylphenyl)-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(3-fluoro-4-tritylsulfanylphenyl)-4-methyl-1,3-oxazolidin-2-one is CC1COC(=O)N1c1ccc(SC(c2ccccc2)(c2ccccc2)c2ccccc2)c(F)c1.
What is the InChIKey of 3-(3-fluoro-4-tritylsulfanylphenyl)-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is MRDKPFSIBQNPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24FNO2S/c1-21-20-33-28(32)31(21)25-17-18-27(26(30)19-25)34-29(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-19,21H,20H2,1H3.
What are the key properties of 3-(3-fluoro-4-tritylsulfanylphenyl)-4-methyl-1,3-oxazolidin-2-one?
3-(3-fluoro-4-tritylsulfanylphenyl)-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 469.58 g/mol, XLogP of 7.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-tritylsulfanylphenyl)-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 141032225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).