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

C16H14FN3O5S — CID 45492959

IUPAC4-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]sulfonylmorpholine
SMILESO=S(=O)(c1ccc(-c2nc(-c3ccc(F)cc3)no2)o1)N1CCOCC1
InChIInChI=1S/C16H14FN3O5S/c17-12-3-1-11(2-4-12)15-18-16(25-19-15)13-5-6-14(24-13)26(21,22)20-7-9-23-10-8-20/h1-6H,7-10H2
InChIKeySFSRFWFGZGBKJR-UHFFFAOYSA-N
MW379.37 g/mol
LogP2.16
Rot. Bonds4

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

4-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]sulfonylmorpholine (PubChem CID 45492959) has the molecular formula C16H14FN3O5S and a molecular weight of 379.37 g/mol. Its IUPAC name is 4-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]sulfonylmorpholine
PubChem CID45492959
Molecular FormulaC16H14FN3O5S
Molecular Weight379.37 g/mol
Exact Mass379.06
IUPAC Name4-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]sulfonylmorpholine
SMILESO=S(=O)(c1ccc(-c2nc(-c3ccc(F)cc3)no2)o1)N1CCOCC1
InChIInChI=1S/C16H14FN3O5S/c17-12-3-1-11(2-4-12)15-18-16(25-19-15)13-5-6-14(24-13)26(21,22)20-7-9-23-10-8-20/h1-6H,7-10H2
InChIKeySFSRFWFGZGBKJR-UHFFFAOYSA-N
XLogP2.16
TPSA98.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 52.16
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]furan-2-yl]sulfonylmorpholine?
The IUPAC name of 4-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]sulfonylmorpholine (CID 45492959) is 4-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]sulfonylmorpholine.
What is the SMILES notation for 4-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]sulfonylmorpholine?
The canonical SMILES for 4-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]sulfonylmorpholine is O=S(=O)(c1ccc(-c2nc(-c3ccc(F)cc3)no2)o1)N1CCOCC1.
What is the InChIKey of 4-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]sulfonylmorpholine?
The InChIKey is SFSRFWFGZGBKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O5S/c17-12-3-1-11(2-4-12)15-18-16(25-19-15)13-5-6-14(24-13)26(21,22)20-7-9-23-10-8-20/h1-6H,7-10H2.
What are the key properties of 4-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]sulfonylmorpholine?
4-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]sulfonylmorpholine has a molecular weight of 379.37 g/mol, XLogP of 2.16, 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]furan-2-yl]sulfonylmorpholine is sourced from PubChem (CID 45492959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).