4-piperidin-1-ylsulfonyl-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide

C19H19N5O4S — CID 4072968

IUPAC4-piperidin-1-ylsulfonyl-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESO=C(Nc1nnc(-c2cccnc2)o1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H19N5O4S/c25-17(21-19-23-22-18(28-19)15-5-4-10-20-13-15)14-6-8-16(9-7-14)29(26,27)24-11-2-1-3-12-24/h4-10,13H,1-3,11-12H2,(H,21,23,25)
InChIKeyRLISTVOXXWMYTB-UHFFFAOYSA-N
MW413.46 g/mol
LogP2.56
Rot. Bonds5

About 4-piperidin-1-ylsulfonyl-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide

4-piperidin-1-ylsulfonyl-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 4072968) has the molecular formula C19H19N5O4S and a molecular weight of 413.46 g/mol. Its IUPAC name is 4-piperidin-1-ylsulfonyl-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-piperidin-1-ylsulfonyl-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID4072968
Molecular FormulaC19H19N5O4S
Molecular Weight413.46 g/mol
Exact Mass413.12
IUPAC Name4-piperidin-1-ylsulfonyl-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESO=C(Nc1nnc(-c2cccnc2)o1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H19N5O4S/c25-17(21-19-23-22-18(28-19)15-5-4-10-20-13-15)14-6-8-16(9-7-14)29(26,27)24-11-2-1-3-12-24/h4-10,13H,1-3,11-12H2,(H,21,23,25)
InChIKeyRLISTVOXXWMYTB-UHFFFAOYSA-N
XLogP2.56
TPSA118.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-ylsulfonyl-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of 4-piperidin-1-ylsulfonyl-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide (CID 4072968) is 4-piperidin-1-ylsulfonyl-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for 4-piperidin-1-ylsulfonyl-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for 4-piperidin-1-ylsulfonyl-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide is O=C(Nc1nnc(-c2cccnc2)o1)c1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of 4-piperidin-1-ylsulfonyl-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is RLISTVOXXWMYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O4S/c25-17(21-19-23-22-18(28-19)15-5-4-10-20-13-15)14-6-8-16(9-7-14)29(26,27)24-11-2-1-3-12-24/h4-10,13H,1-3,11-12H2,(H,21,23,25).
What are the key properties of 4-piperidin-1-ylsulfonyl-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide?
4-piperidin-1-ylsulfonyl-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 413.46 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-ylsulfonyl-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 4072968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).