5-[1-(benzenesulfonyl)piperidin-2-yl]-N-benzyl-1,2-oxazole-3-carboxamide

C22H23N3O4S — CID 46943637

IUPAC5-[1-(benzenesulfonyl)piperidin-2-yl]-N-benzyl-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1ccccc1)c1cc(C2CCCCN2S(=O)(=O)c2ccccc2)on1
InChIInChI=1S/C22H23N3O4S/c26-22(23-16-17-9-3-1-4-10-17)19-15-21(29-24-19)20-13-7-8-14-25(20)30(27,28)18-11-5-2-6-12-18/h1-6,9-12,15,20H,7-8,13-14,16H2,(H,23,26)
InChIKeyHXOTUOYWYLESHY-UHFFFAOYSA-N
MW425.51 g/mol
LogP3.52
Rot. Bonds6

About 5-[1-(benzenesulfonyl)piperidin-2-yl]-N-benzyl-1,2-oxazole-3-carboxamide

5-[1-(benzenesulfonyl)piperidin-2-yl]-N-benzyl-1,2-oxazole-3-carboxamide (PubChem CID 46943637) has the molecular formula C22H23N3O4S and a molecular weight of 425.51 g/mol. Its IUPAC name is 5-[1-(benzenesulfonyl)piperidin-2-yl]-N-benzyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[1-(benzenesulfonyl)piperidin-2-yl]-N-benzyl-1,2-oxazole-3-carboxamide
PubChem CID46943637
Molecular FormulaC22H23N3O4S
Molecular Weight425.51 g/mol
Exact Mass425.14
IUPAC Name5-[1-(benzenesulfonyl)piperidin-2-yl]-N-benzyl-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1ccccc1)c1cc(C2CCCCN2S(=O)(=O)c2ccccc2)on1
InChIInChI=1S/C22H23N3O4S/c26-22(23-16-17-9-3-1-4-10-17)19-15-21(29-24-19)20-13-7-8-14-25(20)30(27,28)18-11-5-2-6-12-18/h1-6,9-12,15,20H,7-8,13-14,16H2,(H,23,26)
InChIKeyHXOTUOYWYLESHY-UHFFFAOYSA-N
XLogP3.52
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(benzenesulfonyl)piperidin-2-yl]-N-benzyl-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[1-(benzenesulfonyl)piperidin-2-yl]-N-benzyl-1,2-oxazole-3-carboxamide (CID 46943637) is 5-[1-(benzenesulfonyl)piperidin-2-yl]-N-benzyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[1-(benzenesulfonyl)piperidin-2-yl]-N-benzyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[1-(benzenesulfonyl)piperidin-2-yl]-N-benzyl-1,2-oxazole-3-carboxamide is O=C(NCc1ccccc1)c1cc(C2CCCCN2S(=O)(=O)c2ccccc2)on1.
What is the InChIKey of 5-[1-(benzenesulfonyl)piperidin-2-yl]-N-benzyl-1,2-oxazole-3-carboxamide?
The InChIKey is HXOTUOYWYLESHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4S/c26-22(23-16-17-9-3-1-4-10-17)19-15-21(29-24-19)20-13-7-8-14-25(20)30(27,28)18-11-5-2-6-12-18/h1-6,9-12,15,20H,7-8,13-14,16H2,(H,23,26).
What are the key properties of 5-[1-(benzenesulfonyl)piperidin-2-yl]-N-benzyl-1,2-oxazole-3-carboxamide?
5-[1-(benzenesulfonyl)piperidin-2-yl]-N-benzyl-1,2-oxazole-3-carboxamide has a molecular weight of 425.51 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(benzenesulfonyl)piperidin-2-yl]-N-benzyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 46943637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).