4-(benzenesulfonyl)-5-ethylsulfanyl-2-phenyl-1,3-oxazole

C17H15NO3S2 — CID 751371

IUPAC4-(benzenesulfonyl)-5-ethylsulfanyl-2-phenyl-1,3-oxazole
SMILESCCSc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H15NO3S2/c1-2-22-17-16(23(19,20)14-11-7-4-8-12-14)18-15(21-17)13-9-5-3-6-10-13/h3-12H,2H2,1H3
InChIKeyOLQJVXFSFSZYOU-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.29
Rot. Bonds5

About 4-(benzenesulfonyl)-5-ethylsulfanyl-2-phenyl-1,3-oxazole

4-(benzenesulfonyl)-5-ethylsulfanyl-2-phenyl-1,3-oxazole (PubChem CID 751371) has the molecular formula C17H15NO3S2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-5-ethylsulfanyl-2-phenyl-1,3-oxazole.

Molecular Properties

Compound Name4-(benzenesulfonyl)-5-ethylsulfanyl-2-phenyl-1,3-oxazole
PubChem CID751371
Molecular FormulaC17H15NO3S2
Molecular Weight345.45 g/mol
Exact Mass345.05
IUPAC Name4-(benzenesulfonyl)-5-ethylsulfanyl-2-phenyl-1,3-oxazole
SMILESCCSc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H15NO3S2/c1-2-22-17-16(23(19,20)14-11-7-4-8-12-14)18-15(21-17)13-9-5-3-6-10-13/h3-12H,2H2,1H3
InChIKeyOLQJVXFSFSZYOU-UHFFFAOYSA-N
XLogP4.29
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-5-ethylsulfanyl-2-phenyl-1,3-oxazole?
The IUPAC name of 4-(benzenesulfonyl)-5-ethylsulfanyl-2-phenyl-1,3-oxazole (CID 751371) is 4-(benzenesulfonyl)-5-ethylsulfanyl-2-phenyl-1,3-oxazole.
What is the SMILES notation for 4-(benzenesulfonyl)-5-ethylsulfanyl-2-phenyl-1,3-oxazole?
The canonical SMILES for 4-(benzenesulfonyl)-5-ethylsulfanyl-2-phenyl-1,3-oxazole is CCSc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccccc1.
What is the InChIKey of 4-(benzenesulfonyl)-5-ethylsulfanyl-2-phenyl-1,3-oxazole?
The InChIKey is OLQJVXFSFSZYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3S2/c1-2-22-17-16(23(19,20)14-11-7-4-8-12-14)18-15(21-17)13-9-5-3-6-10-13/h3-12H,2H2,1H3.
What are the key properties of 4-(benzenesulfonyl)-5-ethylsulfanyl-2-phenyl-1,3-oxazole?
4-(benzenesulfonyl)-5-ethylsulfanyl-2-phenyl-1,3-oxazole has a molecular weight of 345.45 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-5-ethylsulfanyl-2-phenyl-1,3-oxazole is sourced from PubChem (CID 751371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).