3-(4-ethoxyphenyl)-5-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole

C17H15FN2O4S — CID 30849085

IUPAC3-(4-ethoxyphenyl)-5-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole
SMILESCCOc1ccc(-c2noc(CS(=O)(=O)c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C17H15FN2O4S/c1-2-23-14-7-3-12(4-8-14)17-19-16(24-20-17)11-25(21,22)15-9-5-13(18)6-10-15/h3-10H,2,11H2,1H3
InChIKeyJVSHEZGQKJGHJU-UHFFFAOYSA-N
MW362.38 g/mol
LogP3.25
Rot. Bonds6

About 3-(4-ethoxyphenyl)-5-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole

3-(4-ethoxyphenyl)-5-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole (PubChem CID 30849085) has the molecular formula C17H15FN2O4S and a molecular weight of 362.38 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-5-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-5-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole
PubChem CID30849085
Molecular FormulaC17H15FN2O4S
Molecular Weight362.38 g/mol
Exact Mass362.07
IUPAC Name3-(4-ethoxyphenyl)-5-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole
SMILESCCOc1ccc(-c2noc(CS(=O)(=O)c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C17H15FN2O4S/c1-2-23-14-7-3-12(4-8-14)17-19-16(24-20-17)11-25(21,22)15-9-5-13(18)6-10-15/h3-10H,2,11H2,1H3
InChIKeyJVSHEZGQKJGHJU-UHFFFAOYSA-N
XLogP3.25
TPSA82.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-5-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(4-ethoxyphenyl)-5-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole (CID 30849085) is 3-(4-ethoxyphenyl)-5-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-ethoxyphenyl)-5-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-ethoxyphenyl)-5-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole is CCOc1ccc(-c2noc(CS(=O)(=O)c3ccc(F)cc3)n2)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-5-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole?
The InChIKey is JVSHEZGQKJGHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O4S/c1-2-23-14-7-3-12(4-8-14)17-19-16(24-20-17)11-25(21,22)15-9-5-13(18)6-10-15/h3-10H,2,11H2,1H3.
What are the key properties of 3-(4-ethoxyphenyl)-5-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole?
3-(4-ethoxyphenyl)-5-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole has a molecular weight of 362.38 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-5-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 30849085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).