4-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylthiophen-3-yl]sulfonylmorpholine

C17H16FN3O4S2 — CID 50821999

IUPAC4-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylthiophen-3-yl]sulfonylmorpholine
SMILESCc1sc(-c2nc(-c3ccc(F)cc3)no2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C17H16FN3O4S2/c1-11-15(27(22,23)21-6-8-24-9-7-21)10-14(26-11)17-19-16(20-25-17)12-2-4-13(18)5-3-12/h2-5,10H,6-9H2,1H3
InChIKeyOQKHVWUPLOJLHX-UHFFFAOYSA-N
MW409.46 g/mol
LogP2.93
Rot. Bonds4

About 4-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylthiophen-3-yl]sulfonylmorpholine

4-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylthiophen-3-yl]sulfonylmorpholine (PubChem CID 50821999) has the molecular formula C17H16FN3O4S2 and a molecular weight of 409.46 g/mol. Its IUPAC name is 4-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylthiophen-3-yl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylthiophen-3-yl]sulfonylmorpholine
PubChem CID50821999
Molecular FormulaC17H16FN3O4S2
Molecular Weight409.46 g/mol
Exact Mass409.06
IUPAC Name4-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylthiophen-3-yl]sulfonylmorpholine
SMILESCc1sc(-c2nc(-c3ccc(F)cc3)no2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C17H16FN3O4S2/c1-11-15(27(22,23)21-6-8-24-9-7-21)10-14(26-11)17-19-16(20-25-17)12-2-4-13(18)5-3-12/h2-5,10H,6-9H2,1H3
InChIKeyOQKHVWUPLOJLHX-UHFFFAOYSA-N
XLogP2.93
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylthiophen-3-yl]sulfonylmorpholine?
The IUPAC name of 4-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylthiophen-3-yl]sulfonylmorpholine (CID 50821999) is 4-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylthiophen-3-yl]sulfonylmorpholine.
What is the SMILES notation for 4-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylthiophen-3-yl]sulfonylmorpholine?
The canonical SMILES for 4-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylthiophen-3-yl]sulfonylmorpholine is Cc1sc(-c2nc(-c3ccc(F)cc3)no2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylthiophen-3-yl]sulfonylmorpholine?
The InChIKey is OQKHVWUPLOJLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O4S2/c1-11-15(27(22,23)21-6-8-24-9-7-21)10-14(26-11)17-19-16(20-25-17)12-2-4-13(18)5-3-12/h2-5,10H,6-9H2,1H3.
What are the key properties of 4-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylthiophen-3-yl]sulfonylmorpholine?
4-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylthiophen-3-yl]sulfonylmorpholine has a molecular weight of 409.46 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylthiophen-3-yl]sulfonylmorpholine is sourced from PubChem (CID 50821999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).