2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-5-(furan-3-yl)-1,3,4-oxadiazole

C19H19N3O6S — CID 90543458

IUPAC2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-5-(furan-3-yl)-1,3,4-oxadiazole
SMILESO=S(=O)(c1ccc2c(c1)OCCO2)N1CCC(c2nnc(-c3ccoc3)o2)CC1
InChIInChI=1S/C19H19N3O6S/c23-29(24,15-1-2-16-17(11-15)27-10-9-26-16)22-6-3-13(4-7-22)18-20-21-19(28-18)14-5-8-25-12-14/h1-2,5,8,11-13H,3-4,6-7,9-10H2
InChIKeyFNFQHLBNKTZFFX-UHFFFAOYSA-N
MW417.44 g/mol
LogP2.67
Rot. Bonds4

About 2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-5-(furan-3-yl)-1,3,4-oxadiazole

2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-5-(furan-3-yl)-1,3,4-oxadiazole (PubChem CID 90543458) has the molecular formula C19H19N3O6S and a molecular weight of 417.44 g/mol. Its IUPAC name is 2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-5-(furan-3-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-5-(furan-3-yl)-1,3,4-oxadiazole
PubChem CID90543458
Molecular FormulaC19H19N3O6S
Molecular Weight417.44 g/mol
Exact Mass417.10
IUPAC Name2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-5-(furan-3-yl)-1,3,4-oxadiazole
SMILESO=S(=O)(c1ccc2c(c1)OCCO2)N1CCC(c2nnc(-c3ccoc3)o2)CC1
InChIInChI=1S/C19H19N3O6S/c23-29(24,15-1-2-16-17(11-15)27-10-9-26-16)22-6-3-13(4-7-22)18-20-21-19(28-18)14-5-8-25-12-14/h1-2,5,8,11-13H,3-4,6-7,9-10H2
InChIKeyFNFQHLBNKTZFFX-UHFFFAOYSA-N
XLogP2.67
TPSA107.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylpiperidine-1-sulfonamide
CID 90543461
2-(1-cyclopropylsulfonylpiperidin-4-yl)-5-(furan-3-yl)-1,3,4-oxadiazole
CID 90543490
2-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]-5-(furan-3-yl)-1,3,4-oxadiazole
CID 90543491
2-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-5-(furan-3-yl)-1,3,4-oxadiazole
CID 90543462
2-(furan-3-yl)-5-[1-(2-methoxyphenyl)sulfonylpiperidin-4-yl]-1,3,4-oxadiazole
CID 90543488
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-methylpiperidine
CID 3154533
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,4-thiazinane 1,1-dioxide
CID 110721464
(E)-3-(1,3-benzodioxol-5-yl)-1-[4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]prop-2-en-1-one
CID 90543125
1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-N-methylmethanamine
CID 119978298
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(pyrazol-1-ylmethyl)piperidine
CID 71781189
2-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-2-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 124958297
2-(1,3-benzodioxol-5-yl)-5-[(3S)-1-(3,4-dimethylphenyl)sulfonylpiperidin-3-yl]-1,3,4-oxadiazole
CID 51696662

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-5-(furan-3-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-5-(furan-3-yl)-1,3,4-oxadiazole (CID 90543458) is 2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-5-(furan-3-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-5-(furan-3-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-5-(furan-3-yl)-1,3,4-oxadiazole is O=S(=O)(c1ccc2c(c1)OCCO2)N1CCC(c2nnc(-c3ccoc3)o2)CC1.
What is the InChIKey of 2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-5-(furan-3-yl)-1,3,4-oxadiazole?
The InChIKey is FNFQHLBNKTZFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O6S/c23-29(24,15-1-2-16-17(11-15)27-10-9-26-16)22-6-3-13(4-7-22)18-20-21-19(28-18)14-5-8-25-12-14/h1-2,5,8,11-13H,3-4,6-7,9-10H2.
What are the key properties of 2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-5-(furan-3-yl)-1,3,4-oxadiazole?
2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-5-(furan-3-yl)-1,3,4-oxadiazole has a molecular weight of 417.44 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-5-(furan-3-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 90543458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).