5-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-propan-2-yl-1,2,4-oxadiazole

C18H25N3O4S — CID 50747545

IUPAC5-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-propan-2-yl-1,2,4-oxadiazole
SMILESCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1nc(C(C)C)no1
InChIInChI=1S/C18H25N3O4S/c1-4-24-16-9-8-14(26(22,23)21-10-6-5-7-11-21)12-15(16)18-19-17(13(2)3)20-25-18/h8-9,12-13H,4-7,10-11H2,1-3H3
InChIKeyVLBBHBPWSYBXIL-UHFFFAOYSA-N
MW379.48 g/mol
LogP3.43
Rot. Bonds6

About 5-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-propan-2-yl-1,2,4-oxadiazole

5-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 50747545) has the molecular formula C18H25N3O4S and a molecular weight of 379.48 g/mol. Its IUPAC name is 5-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID50747545
Molecular FormulaC18H25N3O4S
Molecular Weight379.48 g/mol
Exact Mass379.16
IUPAC Name5-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-propan-2-yl-1,2,4-oxadiazole
SMILESCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1nc(C(C)C)no1
InChIInChI=1S/C18H25N3O4S/c1-4-24-16-9-8-14(26(22,23)21-10-6-5-7-11-21)12-15(16)18-19-17(13(2)3)20-25-18/h8-9,12-13H,4-7,10-11H2,1-3H3
InChIKeyVLBBHBPWSYBXIL-UHFFFAOYSA-N
XLogP3.43
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-propan-2-yl-1,2,4-oxadiazole (CID 50747545) is 5-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-propan-2-yl-1,2,4-oxadiazole is CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1nc(C(C)C)no1.
What is the InChIKey of 5-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is VLBBHBPWSYBXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4S/c1-4-24-16-9-8-14(26(22,23)21-10-6-5-7-11-21)12-15(16)18-19-17(13(2)3)20-25-18/h8-9,12-13H,4-7,10-11H2,1-3H3.
What are the key properties of 5-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-propan-2-yl-1,2,4-oxadiazole?
5-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 379.48 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 50747545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).