1-(5-phenyl-1,3,4-oxadiazol-2-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one

C22H23N3O4S — CID 2361005

IUPAC1-(5-phenyl-1,3,4-oxadiazol-2-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C22H23N3O4S/c26-20(22-24-23-21(29-22)18-7-3-1-4-8-18)14-11-17-9-12-19(13-10-17)30(27,28)25-15-5-2-6-16-25/h1,3-4,7-10,12-13H,2,5-6,11,14-16H2
InChIKeyCSWCUXZYABCAOZ-UHFFFAOYSA-N
MW425.51 g/mol
LogP3.73
Rot. Bonds7

About 1-(5-phenyl-1,3,4-oxadiazol-2-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one

1-(5-phenyl-1,3,4-oxadiazol-2-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one (PubChem CID 2361005) has the molecular formula C22H23N3O4S and a molecular weight of 425.51 g/mol. Its IUPAC name is 1-(5-phenyl-1,3,4-oxadiazol-2-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one.

Molecular Properties

Compound Name1-(5-phenyl-1,3,4-oxadiazol-2-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one
PubChem CID2361005
Molecular FormulaC22H23N3O4S
Molecular Weight425.51 g/mol
Exact Mass425.14
IUPAC Name1-(5-phenyl-1,3,4-oxadiazol-2-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C22H23N3O4S/c26-20(22-24-23-21(29-22)18-7-3-1-4-8-18)14-11-17-9-12-19(13-10-17)30(27,28)25-15-5-2-6-16-25/h1,3-4,7-10,12-13H,2,5-6,11,14-16H2
InChIKeyCSWCUXZYABCAOZ-UHFFFAOYSA-N
XLogP3.73
TPSA93.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-phenyl-1,3,4-oxadiazol-2-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one?
The IUPAC name of 1-(5-phenyl-1,3,4-oxadiazol-2-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one (CID 2361005) is 1-(5-phenyl-1,3,4-oxadiazol-2-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one.
What is the SMILES notation for 1-(5-phenyl-1,3,4-oxadiazol-2-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one?
The canonical SMILES for 1-(5-phenyl-1,3,4-oxadiazol-2-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one is O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1nnc(-c2ccccc2)o1.
What is the InChIKey of 1-(5-phenyl-1,3,4-oxadiazol-2-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one?
The InChIKey is CSWCUXZYABCAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4S/c26-20(22-24-23-21(29-22)18-7-3-1-4-8-18)14-11-17-9-12-19(13-10-17)30(27,28)25-15-5-2-6-16-25/h1,3-4,7-10,12-13H,2,5-6,11,14-16H2.
What are the key properties of 1-(5-phenyl-1,3,4-oxadiazol-2-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one?
1-(5-phenyl-1,3,4-oxadiazol-2-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one has a molecular weight of 425.51 g/mol, XLogP of 3.73, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-phenyl-1,3,4-oxadiazol-2-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one is sourced from PubChem (CID 2361005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).