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

C20H20N4O5S — CID 124958297

IUPAC2-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-2-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESO=S(=O)(c1ccc2c(c1)OCCO2)N1CCCC[C@@H]1c1nnc(-c2cccnc2)o1
InChIInChI=1S/C20H20N4O5S/c25-30(26,15-6-7-17-18(12-15)28-11-10-27-17)24-9-2-1-5-16(24)20-23-22-19(29-20)14-4-3-8-21-13-14/h3-4,6-8,12-13,16H,1-2,5,9-11H2/t16-/m1/s1
InChIKeyGFBTYVGIDXIQPX-MRXNPFEDSA-N
MW428.47 g/mol
LogP2.82
Rot. Bonds4

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

2-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-2-yl]-5-pyridin-3-yl-1,3,4-oxadiazole (PubChem CID 124958297) has the molecular formula C20H20N4O5S and a molecular weight of 428.47 g/mol. Its IUPAC name is 2-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-2-yl]-5-pyridin-3-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-2-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
PubChem CID124958297
Molecular FormulaC20H20N4O5S
Molecular Weight428.47 g/mol
Exact Mass428.12
IUPAC Name2-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-2-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESO=S(=O)(c1ccc2c(c1)OCCO2)N1CCCC[C@@H]1c1nnc(-c2cccnc2)o1
InChIInChI=1S/C20H20N4O5S/c25-30(26,15-6-7-17-18(12-15)28-11-10-27-17)24-9-2-1-5-16(24)20-23-22-19(29-20)14-4-3-8-21-13-14/h3-4,6-8,12-13,16H,1-2,5,9-11H2/t16-/m1/s1
InChIKeyGFBTYVGIDXIQPX-MRXNPFEDSA-N
XLogP2.82
TPSA107.65 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidin-2-yl]-5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole
CID 92558945
2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-5-pyridin-2-yl-1,3,4-oxadiazole
CID 124952572
2-[(2S)-1-(2-phenoxyethylsulfonyl)pyrrolidin-2-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 92575390
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-2-amine
CID 43146942
N-[2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110320750
5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-phenyl-1,5-diazecan-2-one
CID 110200183
2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-5-(furan-3-yl)-1,3,4-oxadiazole
CID 90543458
(2R)-2-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine
CID 35391559
2-[(3R)-1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 92569569
2-[(3S)-1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 92569570
2-[1-(1,3-benzodioxol-5-ylsulfonyl)pyrrolidin-2-yl]pyridine
CID 110871717
5-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidin-2-yl]-3-methyl-1,2-oxazole
CID 50809125

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-2-yl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-2-yl]-5-pyridin-3-yl-1,3,4-oxadiazole (CID 124958297) is 2-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-2-yl]-5-pyridin-3-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-2-yl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-2-yl]-5-pyridin-3-yl-1,3,4-oxadiazole is O=S(=O)(c1ccc2c(c1)OCCO2)N1CCCC[C@@H]1c1nnc(-c2cccnc2)o1.
What is the InChIKey of 2-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-2-yl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The InChIKey is GFBTYVGIDXIQPX-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H20N4O5S/c25-30(26,15-6-7-17-18(12-15)28-11-10-27-17)24-9-2-1-5-16(24)20-23-22-19(29-20)14-4-3-8-21-13-14/h3-4,6-8,12-13,16H,1-2,5,9-11H2/t16-/m1/s1.
What are the key properties of 2-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-2-yl]-5-pyridin-3-yl-1,3,4-oxadiazole?
2-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-2-yl]-5-pyridin-3-yl-1,3,4-oxadiazole has a molecular weight of 428.47 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-2-yl]-5-pyridin-3-yl-1,3,4-oxadiazole is sourced from PubChem (CID 124958297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).