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

C16H10F4N2O3S — CID 46377122

IUPAC5-[(4-fluorophenyl)sulfonylmethyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESO=S(=O)(Cc1nc(-c2cccc(C(F)(F)F)c2)no1)c1ccc(F)cc1
InChIInChI=1S/C16H10F4N2O3S/c17-12-4-6-13(7-5-12)26(23,24)9-14-21-15(22-25-14)10-2-1-3-11(8-10)16(18,19)20/h1-8H,9H2
InChIKeyQCAIQQFKKAGJHE-UHFFFAOYSA-N
MW386.33 g/mol
LogP3.87
Rot. Bonds4

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

5-[(4-fluorophenyl)sulfonylmethyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (PubChem CID 46377122) has the molecular formula C16H10F4N2O3S and a molecular weight of 386.33 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)sulfonylmethyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(4-fluorophenyl)sulfonylmethyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
PubChem CID46377122
Molecular FormulaC16H10F4N2O3S
Molecular Weight386.33 g/mol
Exact Mass386.03
IUPAC Name5-[(4-fluorophenyl)sulfonylmethyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESO=S(=O)(Cc1nc(-c2cccc(C(F)(F)F)c2)no1)c1ccc(F)cc1
InChIInChI=1S/C16H10F4N2O3S/c17-12-4-6-13(7-5-12)26(23,24)9-14-21-15(22-25-14)10-2-1-3-11(8-10)16(18,19)20/h1-8H,9H2
InChIKeyQCAIQQFKKAGJHE-UHFFFAOYSA-N
XLogP3.87
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.33
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)sulfonylmethyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[(4-fluorophenyl)sulfonylmethyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (CID 46377122) is 5-[(4-fluorophenyl)sulfonylmethyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(4-fluorophenyl)sulfonylmethyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[(4-fluorophenyl)sulfonylmethyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is O=S(=O)(Cc1nc(-c2cccc(C(F)(F)F)c2)no1)c1ccc(F)cc1.
What is the InChIKey of 5-[(4-fluorophenyl)sulfonylmethyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The InChIKey is QCAIQQFKKAGJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F4N2O3S/c17-12-4-6-13(7-5-12)26(23,24)9-14-21-15(22-25-14)10-2-1-3-11(8-10)16(18,19)20/h1-8H,9H2.
What are the key properties of 5-[(4-fluorophenyl)sulfonylmethyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
5-[(4-fluorophenyl)sulfonylmethyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole has a molecular weight of 386.33 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)sulfonylmethyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 46377122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).