5-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-3-pyridin-4-yl-1,2,4-oxadiazole

C22H20N4O3S — CID 1453619

IUPAC5-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESO=S(=O)(c1ccc2ccccc2c1)N1CCC(c2nc(-c3ccncc3)no2)CC1
InChIInChI=1S/C22H20N4O3S/c27-30(28,20-6-5-16-3-1-2-4-19(16)15-20)26-13-9-18(10-14-26)22-24-21(25-29-22)17-7-11-23-12-8-17/h1-8,11-12,15,18H,9-10,13-14H2
InChIKeyLRFCJJDHQVKUBF-UHFFFAOYSA-N
MW420.49 g/mol
LogP3.85
Rot. Bonds4

About 5-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-3-pyridin-4-yl-1,2,4-oxadiazole

5-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-3-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 1453619) has the molecular formula C22H20N4O3S and a molecular weight of 420.49 g/mol. Its IUPAC name is 5-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-3-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
PubChem CID1453619
Molecular FormulaC22H20N4O3S
Molecular Weight420.49 g/mol
Exact Mass420.13
IUPAC Name5-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESO=S(=O)(c1ccc2ccccc2c1)N1CCC(c2nc(-c3ccncc3)no2)CC1
InChIInChI=1S/C22H20N4O3S/c27-30(28,20-6-5-16-3-1-2-4-19(16)15-20)26-13-9-18(10-14-26)22-24-21(25-29-22)17-7-11-23-12-8-17/h1-8,11-12,15,18H,9-10,13-14H2
InChIKeyLRFCJJDHQVKUBF-UHFFFAOYSA-N
XLogP3.85
TPSA89.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-3-pyridin-4-yl-1,2,4-oxadiazole (CID 1453619) is 5-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-3-pyridin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-3-pyridin-4-yl-1,2,4-oxadiazole is O=S(=O)(c1ccc2ccccc2c1)N1CCC(c2nc(-c3ccncc3)no2)CC1.
What is the InChIKey of 5-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The InChIKey is LRFCJJDHQVKUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3S/c27-30(28,20-6-5-16-3-1-2-4-19(16)15-20)26-13-9-18(10-14-26)22-24-21(25-29-22)17-7-11-23-12-8-17/h1-8,11-12,15,18H,9-10,13-14H2.
What are the key properties of 5-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-3-pyridin-4-yl-1,2,4-oxadiazole?
5-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-3-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 420.49 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-3-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 1453619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).