5-(1-imidazol-1-ylsulfonylpiperidin-4-yl)-3-quinolin-2-yl-1,2,4-oxadiazole

C19H18N6O3S — CID 67176956

IUPAC5-(1-imidazol-1-ylsulfonylpiperidin-4-yl)-3-quinolin-2-yl-1,2,4-oxadiazole
SMILESO=S(=O)(N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1)n1ccnc1
InChIInChI=1S/C19H18N6O3S/c26-29(27,25-12-9-20-13-25)24-10-7-15(8-11-24)19-22-18(23-28-19)17-6-5-14-3-1-2-4-16(14)21-17/h1-6,9,12-13,15H,7-8,10-11H2
InChIKeyBVKQYUZPXPWDCW-UHFFFAOYSA-N
MW410.46 g/mol
LogP2.45
Rot. Bonds4

About 5-(1-imidazol-1-ylsulfonylpiperidin-4-yl)-3-quinolin-2-yl-1,2,4-oxadiazole

5-(1-imidazol-1-ylsulfonylpiperidin-4-yl)-3-quinolin-2-yl-1,2,4-oxadiazole (PubChem CID 67176956) has the molecular formula C19H18N6O3S and a molecular weight of 410.46 g/mol. Its IUPAC name is 5-(1-imidazol-1-ylsulfonylpiperidin-4-yl)-3-quinolin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-imidazol-1-ylsulfonylpiperidin-4-yl)-3-quinolin-2-yl-1,2,4-oxadiazole
PubChem CID67176956
Molecular FormulaC19H18N6O3S
Molecular Weight410.46 g/mol
Exact Mass410.12
IUPAC Name5-(1-imidazol-1-ylsulfonylpiperidin-4-yl)-3-quinolin-2-yl-1,2,4-oxadiazole
SMILESO=S(=O)(N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1)n1ccnc1
InChIInChI=1S/C19H18N6O3S/c26-29(27,25-12-9-20-13-25)24-10-7-15(8-11-24)19-22-18(23-28-19)17-6-5-14-3-1-2-4-16(14)21-17/h1-6,9,12-13,15H,7-8,10-11H2
InChIKeyBVKQYUZPXPWDCW-UHFFFAOYSA-N
XLogP2.45
TPSA107.01 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.46
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(1-imidazol-1-ylsulfonylpiperidin-4-yl)-3-quinolin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(1-imidazol-1-ylsulfonylpiperidin-4-yl)-3-quinolin-2-yl-1,2,4-oxadiazole (CID 67176956) is 5-(1-imidazol-1-ylsulfonylpiperidin-4-yl)-3-quinolin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-imidazol-1-ylsulfonylpiperidin-4-yl)-3-quinolin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-imidazol-1-ylsulfonylpiperidin-4-yl)-3-quinolin-2-yl-1,2,4-oxadiazole is O=S(=O)(N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1)n1ccnc1.
What is the InChIKey of 5-(1-imidazol-1-ylsulfonylpiperidin-4-yl)-3-quinolin-2-yl-1,2,4-oxadiazole?
The InChIKey is BVKQYUZPXPWDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O3S/c26-29(27,25-12-9-20-13-25)24-10-7-15(8-11-24)19-22-18(23-28-19)17-6-5-14-3-1-2-4-16(14)21-17/h1-6,9,12-13,15H,7-8,10-11H2.
What are the key properties of 5-(1-imidazol-1-ylsulfonylpiperidin-4-yl)-3-quinolin-2-yl-1,2,4-oxadiazole?
5-(1-imidazol-1-ylsulfonylpiperidin-4-yl)-3-quinolin-2-yl-1,2,4-oxadiazole has a molecular weight of 410.46 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-imidazol-1-ylsulfonylpiperidin-4-yl)-3-quinolin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 67176956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).