(2S)-2-[5-[2-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine

C15H18FN3O5S — CID 129335247

IUPAC(2S)-2-[5-[2-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine
SMILESCS(=O)(=O)N1CCO[C@H](c2nnc(CCOc3ccc(F)cc3)o2)C1
InChIInChI=1S/C15H18FN3O5S/c1-25(20,21)19-7-9-23-13(10-19)15-18-17-14(24-15)6-8-22-12-4-2-11(16)3-5-12/h2-5,13H,6-10H2,1H3/t13-/m0/s1
InChIKeyIHTWMESMRJLSOZ-ZDUSSCGKSA-N
MW371.39 g/mol
LogP1.16
Rot. Bonds6

About (2S)-2-[5-[2-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine

(2S)-2-[5-[2-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine (PubChem CID 129335247) has the molecular formula C15H18FN3O5S and a molecular weight of 371.39 g/mol. Its IUPAC name is (2S)-2-[5-[2-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine.

Molecular Properties

Compound Name(2S)-2-[5-[2-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine
PubChem CID129335247
Molecular FormulaC15H18FN3O5S
Molecular Weight371.39 g/mol
Exact Mass371.10
IUPAC Name(2S)-2-[5-[2-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine
SMILESCS(=O)(=O)N1CCO[C@H](c2nnc(CCOc3ccc(F)cc3)o2)C1
InChIInChI=1S/C15H18FN3O5S/c1-25(20,21)19-7-9-23-13(10-19)15-18-17-14(24-15)6-8-22-12-4-2-11(16)3-5-12/h2-5,13H,6-10H2,1H3/t13-/m0/s1
InChIKeyIHTWMESMRJLSOZ-ZDUSSCGKSA-N
XLogP1.16
TPSA94.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[5-[2-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine?
The IUPAC name of (2S)-2-[5-[2-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine (CID 129335247) is (2S)-2-[5-[2-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine.
What is the SMILES notation for (2S)-2-[5-[2-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine?
The canonical SMILES for (2S)-2-[5-[2-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine is CS(=O)(=O)N1CCO[C@H](c2nnc(CCOc3ccc(F)cc3)o2)C1.
What is the InChIKey of (2S)-2-[5-[2-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine?
The InChIKey is IHTWMESMRJLSOZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18FN3O5S/c1-25(20,21)19-7-9-23-13(10-19)15-18-17-14(24-15)6-8-22-12-4-2-11(16)3-5-12/h2-5,13H,6-10H2,1H3/t13-/m0/s1.
What are the key properties of (2S)-2-[5-[2-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine?
(2S)-2-[5-[2-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine has a molecular weight of 371.39 g/mol, XLogP of 1.16, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[5-[2-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine is sourced from PubChem (CID 129335247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).