2-(5-phenyl-1,2,4-oxadiazol-3-yl)-4-piperidin-1-ylsulfonylmorpholine

C17H22N4O4S — CID 75474712

IUPAC2-(5-phenyl-1,2,4-oxadiazol-3-yl)-4-piperidin-1-ylsulfonylmorpholine
SMILESO=S(=O)(N1CCCCC1)N1CCOC(c2noc(-c3ccccc3)n2)C1
InChIInChI=1S/C17H22N4O4S/c22-26(23,20-9-5-2-6-10-20)21-11-12-24-15(13-21)16-18-17(25-19-16)14-7-3-1-4-8-14/h1,3-4,7-8,15H,2,5-6,9-13H2
InChIKeyVSISKOMVDYNEDR-UHFFFAOYSA-N
MW378.45 g/mol
LogP1.84
Rot. Bonds4

About 2-(5-phenyl-1,2,4-oxadiazol-3-yl)-4-piperidin-1-ylsulfonylmorpholine

2-(5-phenyl-1,2,4-oxadiazol-3-yl)-4-piperidin-1-ylsulfonylmorpholine (PubChem CID 75474712) has the molecular formula C17H22N4O4S and a molecular weight of 378.45 g/mol. Its IUPAC name is 2-(5-phenyl-1,2,4-oxadiazol-3-yl)-4-piperidin-1-ylsulfonylmorpholine.

Molecular Properties

Compound Name2-(5-phenyl-1,2,4-oxadiazol-3-yl)-4-piperidin-1-ylsulfonylmorpholine
PubChem CID75474712
Molecular FormulaC17H22N4O4S
Molecular Weight378.45 g/mol
Exact Mass378.14
IUPAC Name2-(5-phenyl-1,2,4-oxadiazol-3-yl)-4-piperidin-1-ylsulfonylmorpholine
SMILESO=S(=O)(N1CCCCC1)N1CCOC(c2noc(-c3ccccc3)n2)C1
InChIInChI=1S/C17H22N4O4S/c22-26(23,20-9-5-2-6-10-20)21-11-12-24-15(13-21)16-18-17(25-19-16)14-7-3-1-4-8-14/h1,3-4,7-8,15H,2,5-6,9-13H2
InChIKeyVSISKOMVDYNEDR-UHFFFAOYSA-N
XLogP1.84
TPSA88.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-phenyl-1,2,4-oxadiazol-3-yl)-4-piperidin-1-ylsulfonylmorpholine?
The IUPAC name of 2-(5-phenyl-1,2,4-oxadiazol-3-yl)-4-piperidin-1-ylsulfonylmorpholine (CID 75474712) is 2-(5-phenyl-1,2,4-oxadiazol-3-yl)-4-piperidin-1-ylsulfonylmorpholine.
What is the SMILES notation for 2-(5-phenyl-1,2,4-oxadiazol-3-yl)-4-piperidin-1-ylsulfonylmorpholine?
The canonical SMILES for 2-(5-phenyl-1,2,4-oxadiazol-3-yl)-4-piperidin-1-ylsulfonylmorpholine is O=S(=O)(N1CCCCC1)N1CCOC(c2noc(-c3ccccc3)n2)C1.
What is the InChIKey of 2-(5-phenyl-1,2,4-oxadiazol-3-yl)-4-piperidin-1-ylsulfonylmorpholine?
The InChIKey is VSISKOMVDYNEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4S/c22-26(23,20-9-5-2-6-10-20)21-11-12-24-15(13-21)16-18-17(25-19-16)14-7-3-1-4-8-14/h1,3-4,7-8,15H,2,5-6,9-13H2.
What are the key properties of 2-(5-phenyl-1,2,4-oxadiazol-3-yl)-4-piperidin-1-ylsulfonylmorpholine?
2-(5-phenyl-1,2,4-oxadiazol-3-yl)-4-piperidin-1-ylsulfonylmorpholine has a molecular weight of 378.45 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenyl-1,2,4-oxadiazol-3-yl)-4-piperidin-1-ylsulfonylmorpholine is sourced from PubChem (CID 75474712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).