4-(4-chlorophenyl)sulfonyl-5-ethylsulfanyl-2-(4-methylphenyl)-1,3-oxazole

C18H16ClNO3S2 — CID 2157080

IUPAC4-(4-chlorophenyl)sulfonyl-5-ethylsulfanyl-2-(4-methylphenyl)-1,3-oxazole
SMILESCCSc1oc(-c2ccc(C)cc2)nc1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H16ClNO3S2/c1-3-24-18-17(25(21,22)15-10-8-14(19)9-11-15)20-16(23-18)13-6-4-12(2)5-7-13/h4-11H,3H2,1-2H3
InChIKeySRTKIRQGFXGERD-UHFFFAOYSA-N
MW393.92 g/mol
LogP5.25
Rot. Bonds5

About 4-(4-chlorophenyl)sulfonyl-5-ethylsulfanyl-2-(4-methylphenyl)-1,3-oxazole

4-(4-chlorophenyl)sulfonyl-5-ethylsulfanyl-2-(4-methylphenyl)-1,3-oxazole (PubChem CID 2157080) has the molecular formula C18H16ClNO3S2 and a molecular weight of 393.92 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfonyl-5-ethylsulfanyl-2-(4-methylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfonyl-5-ethylsulfanyl-2-(4-methylphenyl)-1,3-oxazole
PubChem CID2157080
Molecular FormulaC18H16ClNO3S2
Molecular Weight393.92 g/mol
Exact Mass393.03
IUPAC Name4-(4-chlorophenyl)sulfonyl-5-ethylsulfanyl-2-(4-methylphenyl)-1,3-oxazole
SMILESCCSc1oc(-c2ccc(C)cc2)nc1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H16ClNO3S2/c1-3-24-18-17(25(21,22)15-10-8-14(19)9-11-15)20-16(23-18)13-6-4-12(2)5-7-13/h4-11H,3H2,1-2H3
InChIKeySRTKIRQGFXGERD-UHFFFAOYSA-N
XLogP5.25
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.92
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(benzenesulfonyl)-5-ethylsulfanyl-2-phenyl-1,3-oxazole
CID 751371
4-(4-chlorophenyl)sulfonyl-5-ethylsulfonyl-2-(4-methylphenyl)-1,3-oxazole
CID 167344308
2-[[4-(4-chlorophenyl)sulfonyl-2-(4-methylphenyl)-1,3-oxazol-5-yl]sulfanyl]-N-cyclohexylacetamide
CID 2157075
4-(4-chlorophenyl)sulfonyl-2-(4-methylphenyl)-5-methylsulfonyl-1,3-oxazole
CID 167344246
5-butylsulfanyl-4-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)-1,3-oxazole
CID 2157066
4-(4-chlorophenyl)sulfonyl-N-methyl-2-(4-methylphenyl)-1,3-oxazol-5-amine
CID 5098546
5-[(2S)-butan-2-yl]sulfanyl-4-(4-chlorophenyl)sulfonyl-2-phenyl-1,3-oxazole
CID 2157014
5-[(2S)-butan-2-yl]sulfanyl-4-(4-methylphenyl)sulfonyl-2-phenyl-1,3-oxazole
CID 2156983
2-(4-chlorophenyl)-5-(4-ethylpiperazin-1-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole
CID 2354466
5-butan-2-ylsulfanyl-4-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)-1,3-oxazole
CID 18553442
2-[[4-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)-1,3-oxazol-5-yl]sulfanyl]-1-phenylethanone
CID 2157069
2-[[4-(4-chlorophenyl)sulfonyl-2-phenyl-1,3-oxazol-5-yl]sulfanyl]-N-(4-ethoxyphenyl)acetamide
CID 2157004

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfonyl-5-ethylsulfanyl-2-(4-methylphenyl)-1,3-oxazole?
The IUPAC name of 4-(4-chlorophenyl)sulfonyl-5-ethylsulfanyl-2-(4-methylphenyl)-1,3-oxazole (CID 2157080) is 4-(4-chlorophenyl)sulfonyl-5-ethylsulfanyl-2-(4-methylphenyl)-1,3-oxazole.
What is the SMILES notation for 4-(4-chlorophenyl)sulfonyl-5-ethylsulfanyl-2-(4-methylphenyl)-1,3-oxazole?
The canonical SMILES for 4-(4-chlorophenyl)sulfonyl-5-ethylsulfanyl-2-(4-methylphenyl)-1,3-oxazole is CCSc1oc(-c2ccc(C)cc2)nc1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)sulfonyl-5-ethylsulfanyl-2-(4-methylphenyl)-1,3-oxazole?
The InChIKey is SRTKIRQGFXGERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO3S2/c1-3-24-18-17(25(21,22)15-10-8-14(19)9-11-15)20-16(23-18)13-6-4-12(2)5-7-13/h4-11H,3H2,1-2H3.
What are the key properties of 4-(4-chlorophenyl)sulfonyl-5-ethylsulfanyl-2-(4-methylphenyl)-1,3-oxazole?
4-(4-chlorophenyl)sulfonyl-5-ethylsulfanyl-2-(4-methylphenyl)-1,3-oxazole has a molecular weight of 393.92 g/mol, XLogP of 5.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfonyl-5-ethylsulfanyl-2-(4-methylphenyl)-1,3-oxazole is sourced from PubChem (CID 2157080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).