3-[2-(benzenesulfonyl)ethyl]-5-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole

C17H15FN2O3S — CID 50844280

IUPAC3-[2-(benzenesulfonyl)ethyl]-5-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole
SMILESO=S(=O)(CCc1noc(Cc2ccccc2F)n1)c1ccccc1
InChIInChI=1S/C17H15FN2O3S/c18-15-9-5-4-6-13(15)12-17-19-16(20-23-17)10-11-24(21,22)14-7-2-1-3-8-14/h1-9H,10-12H2
InChIKeyIYLSDYSTSCLAKM-UHFFFAOYSA-N
MW346.38 g/mol
LogP2.82
Rot. Bonds6

About 3-[2-(benzenesulfonyl)ethyl]-5-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole

3-[2-(benzenesulfonyl)ethyl]-5-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole (PubChem CID 50844280) has the molecular formula C17H15FN2O3S and a molecular weight of 346.38 g/mol. Its IUPAC name is 3-[2-(benzenesulfonyl)ethyl]-5-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[2-(benzenesulfonyl)ethyl]-5-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole
PubChem CID50844280
Molecular FormulaC17H15FN2O3S
Molecular Weight346.38 g/mol
Exact Mass346.08
IUPAC Name3-[2-(benzenesulfonyl)ethyl]-5-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole
SMILESO=S(=O)(CCc1noc(Cc2ccccc2F)n1)c1ccccc1
InChIInChI=1S/C17H15FN2O3S/c18-15-9-5-4-6-13(15)12-17-19-16(20-23-17)10-11-24(21,22)14-7-2-1-3-8-14/h1-9H,10-12H2
InChIKeyIYLSDYSTSCLAKM-UHFFFAOYSA-N
XLogP2.82
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(benzenesulfonyl)ethyl]-5-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[2-(benzenesulfonyl)ethyl]-5-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole (CID 50844280) is 3-[2-(benzenesulfonyl)ethyl]-5-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[2-(benzenesulfonyl)ethyl]-5-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[2-(benzenesulfonyl)ethyl]-5-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole is O=S(=O)(CCc1noc(Cc2ccccc2F)n1)c1ccccc1.
What is the InChIKey of 3-[2-(benzenesulfonyl)ethyl]-5-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole?
The InChIKey is IYLSDYSTSCLAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O3S/c18-15-9-5-4-6-13(15)12-17-19-16(20-23-17)10-11-24(21,22)14-7-2-1-3-8-14/h1-9H,10-12H2.
What are the key properties of 3-[2-(benzenesulfonyl)ethyl]-5-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole?
3-[2-(benzenesulfonyl)ethyl]-5-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole has a molecular weight of 346.38 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(benzenesulfonyl)ethyl]-5-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 50844280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).