4-(benzenesulfonyl)-2-(4-methoxyphenyl)-5-methylsulfanyl-1,3-oxazole

C17H15NO4S2 — CID 8721893

IUPAC4-(benzenesulfonyl)-2-(4-methoxyphenyl)-5-methylsulfanyl-1,3-oxazole
SMILESCOc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(SC)o2)cc1
InChIInChI=1S/C17H15NO4S2/c1-21-13-10-8-12(9-11-13)15-18-16(17(22-15)23-2)24(19,20)14-6-4-3-5-7-14/h3-11H,1-2H3
InChIKeyQFRYHJZAXYJIAZ-UHFFFAOYSA-N
MW361.44 g/mol
LogP3.90
Rot. Bonds5

About 4-(benzenesulfonyl)-2-(4-methoxyphenyl)-5-methylsulfanyl-1,3-oxazole

4-(benzenesulfonyl)-2-(4-methoxyphenyl)-5-methylsulfanyl-1,3-oxazole (PubChem CID 8721893) has the molecular formula C17H15NO4S2 and a molecular weight of 361.44 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-2-(4-methoxyphenyl)-5-methylsulfanyl-1,3-oxazole.

Molecular Properties

Compound Name4-(benzenesulfonyl)-2-(4-methoxyphenyl)-5-methylsulfanyl-1,3-oxazole
PubChem CID8721893
Molecular FormulaC17H15NO4S2
Molecular Weight361.44 g/mol
Exact Mass361.04
IUPAC Name4-(benzenesulfonyl)-2-(4-methoxyphenyl)-5-methylsulfanyl-1,3-oxazole
SMILESCOc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(SC)o2)cc1
InChIInChI=1S/C17H15NO4S2/c1-21-13-10-8-12(9-11-13)15-18-16(17(22-15)23-2)24(19,20)14-6-4-3-5-7-14/h3-11H,1-2H3
InChIKeyQFRYHJZAXYJIAZ-UHFFFAOYSA-N
XLogP3.90
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-fluorophenyl)-5-methylsulfanyl-4-naphthalen-2-ylsulfonyl-1,3-oxazole
CID 138392110
4-(benzenesulfonyl)-N-ethyl-2-(4-methoxyphenyl)-1,3-oxazol-5-amine
CID 18826955
4-(benzenesulfonyl)-5-ethylsulfanyl-2-phenyl-1,3-oxazole
CID 751371
4-(benzenesulfonyl)-N-(4-fluorophenyl)-2-(4-methoxyphenyl)-1,3-oxazol-5-amine
CID 18826989
4-(benzenesulfonyl)-2-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-1,3-oxazol-5-amine
CID 18825366
N-benzyl-2-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-1,3-oxazol-5-amine
CID 18890238
N-[4-(benzenesulfonyl)-2-(4-methoxyphenyl)-1,3-oxazol-5-yl]-N',N'-dimethylpropane-1,3-diamine
CID 4825674
4-(benzenesulfonyl)-N-(3-methoxyphenyl)-2-phenyl-1,3-oxazol-5-amine
CID 18825622
4-(4-fluorophenyl)sulfonyl-2-(4-methoxyphenyl)-N-(1-phenylethyl)-1,3-oxazol-5-amine
CID 18827074
5-[(2S)-butan-2-yl]sulfanyl-4-(4-methylphenyl)sulfonyl-2-phenyl-1,3-oxazole
CID 2156983
N-benzyl-2-(4-tert-butylphenyl)-4-(4-methoxyphenyl)sulfonyl-1,3-oxazol-5-amine
CID 18890276
5-[(2R)-butan-2-yl]sulfanyl-4-(4-fluorophenyl)sulfonyl-2-phenyl-1,3-oxazole
CID 2156995

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-2-(4-methoxyphenyl)-5-methylsulfanyl-1,3-oxazole?
The IUPAC name of 4-(benzenesulfonyl)-2-(4-methoxyphenyl)-5-methylsulfanyl-1,3-oxazole (CID 8721893) is 4-(benzenesulfonyl)-2-(4-methoxyphenyl)-5-methylsulfanyl-1,3-oxazole.
What is the SMILES notation for 4-(benzenesulfonyl)-2-(4-methoxyphenyl)-5-methylsulfanyl-1,3-oxazole?
The canonical SMILES for 4-(benzenesulfonyl)-2-(4-methoxyphenyl)-5-methylsulfanyl-1,3-oxazole is COc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(SC)o2)cc1.
What is the InChIKey of 4-(benzenesulfonyl)-2-(4-methoxyphenyl)-5-methylsulfanyl-1,3-oxazole?
The InChIKey is QFRYHJZAXYJIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4S2/c1-21-13-10-8-12(9-11-13)15-18-16(17(22-15)23-2)24(19,20)14-6-4-3-5-7-14/h3-11H,1-2H3.
What are the key properties of 4-(benzenesulfonyl)-2-(4-methoxyphenyl)-5-methylsulfanyl-1,3-oxazole?
4-(benzenesulfonyl)-2-(4-methoxyphenyl)-5-methylsulfanyl-1,3-oxazole has a molecular weight of 361.44 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-2-(4-methoxyphenyl)-5-methylsulfanyl-1,3-oxazole is sourced from PubChem (CID 8721893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).