2-[[4-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)-1,3-oxazol-5-yl]sulfanyl]-1-phenylethanone

C24H18FNO4S2 — CID 2157069

IUPAC2-[[4-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)-1,3-oxazol-5-yl]sulfanyl]-1-phenylethanone
SMILESCc1ccc(-c2nc(S(=O)(=O)c3ccc(F)cc3)c(SCC(=O)c3ccccc3)o2)cc1
InChIInChI=1S/C24H18FNO4S2/c1-16-7-9-18(10-8-16)22-26-23(32(28,29)20-13-11-19(25)12-14-20)24(30-22)31-15-21(27)17-5-3-2-4-6-17/h2-14H,15H2,1H3
InChIKeyVOWIVNVONRGASS-UHFFFAOYSA-N
MW467.54 g/mol
LogP5.60
Rot. Bonds7

About 2-[[4-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)-1,3-oxazol-5-yl]sulfanyl]-1-phenylethanone

2-[[4-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)-1,3-oxazol-5-yl]sulfanyl]-1-phenylethanone (PubChem CID 2157069) has the molecular formula C24H18FNO4S2 and a molecular weight of 467.54 g/mol. Its IUPAC name is 2-[[4-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)-1,3-oxazol-5-yl]sulfanyl]-1-phenylethanone.

Molecular Properties

Compound Name2-[[4-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)-1,3-oxazol-5-yl]sulfanyl]-1-phenylethanone
PubChem CID2157069
Molecular FormulaC24H18FNO4S2
Molecular Weight467.54 g/mol
Exact Mass467.07
IUPAC Name2-[[4-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)-1,3-oxazol-5-yl]sulfanyl]-1-phenylethanone
SMILESCc1ccc(-c2nc(S(=O)(=O)c3ccc(F)cc3)c(SCC(=O)c3ccccc3)o2)cc1
InChIInChI=1S/C24H18FNO4S2/c1-16-7-9-18(10-8-16)22-26-23(32(28,29)20-13-11-19(25)12-14-20)24(30-22)31-15-21(27)17-5-3-2-4-6-17/h2-14H,15H2,1H3
InChIKeyVOWIVNVONRGASS-UHFFFAOYSA-N
XLogP5.60
TPSA77.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.54
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[4-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)-1,3-oxazol-5-yl]sulfanyl]-1-phenylethanone 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

2-[[4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl]-1-phenylethanone
CID 2157225
5-butylsulfanyl-4-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)-1,3-oxazole
CID 2157066
5-butan-2-ylsulfanyl-4-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)-1,3-oxazole
CID 18553442
2-[[4-(benzenesulfonyl)-2-(4-fluorophenyl)-1,3-oxazol-5-yl]sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 2068269
2-[[4-(benzenesulfonyl)-2-(4-methylphenyl)-1,3-oxazol-5-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
CID 4605621
5-[(2R)-butan-2-yl]sulfanyl-4-(4-fluorophenyl)sulfonyl-2-phenyl-1,3-oxazole
CID 2156995
4-(benzenesulfonyl)-5-ethylsulfanyl-2-phenyl-1,3-oxazole
CID 751371
4-(4-chlorophenyl)sulfonyl-5-ethylsulfanyl-2-(4-methylphenyl)-1,3-oxazole
CID 2157080
2-(4-fluorophenyl)-5-methylsulfanyl-4-naphthalen-2-ylsulfonyl-1,3-oxazole
CID 138392110
5-[(2S)-butan-2-yl]sulfanyl-4-(4-methylphenyl)sulfonyl-2-phenyl-1,3-oxazole
CID 2156983
2-[[2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]sulfanyl]acetamide
CID 2053008
2-[[4-(4-bromophenyl)sulfonyl-2-(4-fluorophenyl)-1,3-oxazol-5-yl]sulfanyl]-N-cyclohexylacetamide
CID 4087670

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)-1,3-oxazol-5-yl]sulfanyl]-1-phenylethanone?
The IUPAC name of 2-[[4-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)-1,3-oxazol-5-yl]sulfanyl]-1-phenylethanone (CID 2157069) is 2-[[4-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)-1,3-oxazol-5-yl]sulfanyl]-1-phenylethanone.
What is the SMILES notation for 2-[[4-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)-1,3-oxazol-5-yl]sulfanyl]-1-phenylethanone?
The canonical SMILES for 2-[[4-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)-1,3-oxazol-5-yl]sulfanyl]-1-phenylethanone is Cc1ccc(-c2nc(S(=O)(=O)c3ccc(F)cc3)c(SCC(=O)c3ccccc3)o2)cc1.
What is the InChIKey of 2-[[4-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)-1,3-oxazol-5-yl]sulfanyl]-1-phenylethanone?
The InChIKey is VOWIVNVONRGASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FNO4S2/c1-16-7-9-18(10-8-16)22-26-23(32(28,29)20-13-11-19(25)12-14-20)24(30-22)31-15-21(27)17-5-3-2-4-6-17/h2-14H,15H2,1H3.
What are the key properties of 2-[[4-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)-1,3-oxazol-5-yl]sulfanyl]-1-phenylethanone?
2-[[4-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)-1,3-oxazol-5-yl]sulfanyl]-1-phenylethanone has a molecular weight of 467.54 g/mol, XLogP of 5.60, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)-1,3-oxazol-5-yl]sulfanyl]-1-phenylethanone is sourced from PubChem (CID 2157069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).