5-[1-(benzenesulfonyl)piperidin-4-yl]-3-butan-2-yl-1,2,4-oxadiazole

C17H23N3O3S — CID 56728016

IUPAC5-[1-(benzenesulfonyl)piperidin-4-yl]-3-butan-2-yl-1,2,4-oxadiazole
SMILESCCC(C)c1noc(C2CCN(S(=O)(=O)c3ccccc3)CC2)n1
InChIInChI=1S/C17H23N3O3S/c1-3-13(2)16-18-17(23-19-16)14-9-11-20(12-10-14)24(21,22)15-7-5-4-6-8-15/h4-8,13-14H,3,9-12H2,1-2H3
InChIKeyFXHHLCOMHFZJFJ-UHFFFAOYSA-N
MW349.46 g/mol
LogP3.15
Rot. Bonds5

About 5-[1-(benzenesulfonyl)piperidin-4-yl]-3-butan-2-yl-1,2,4-oxadiazole

5-[1-(benzenesulfonyl)piperidin-4-yl]-3-butan-2-yl-1,2,4-oxadiazole (PubChem CID 56728016) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is 5-[1-(benzenesulfonyl)piperidin-4-yl]-3-butan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(benzenesulfonyl)piperidin-4-yl]-3-butan-2-yl-1,2,4-oxadiazole
PubChem CID56728016
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name5-[1-(benzenesulfonyl)piperidin-4-yl]-3-butan-2-yl-1,2,4-oxadiazole
SMILESCCC(C)c1noc(C2CCN(S(=O)(=O)c3ccccc3)CC2)n1
InChIInChI=1S/C17H23N3O3S/c1-3-13(2)16-18-17(23-19-16)14-9-11-20(12-10-14)24(21,22)15-7-5-4-6-8-15/h4-8,13-14H,3,9-12H2,1-2H3
InChIKeyFXHHLCOMHFZJFJ-UHFFFAOYSA-N
XLogP3.15
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-(benzenesulfonyl)piperidin-4-yl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 5138460
5-[1-(3-bromophenyl)sulfonylpiperidin-4-yl]-3-[(1S)-1-(2-methylphenyl)ethyl]-1,2,4-oxadiazole
CID 124711305
5-[1-(benzenesulfonyl)piperidin-4-yl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 2986760
3-[1-(2-methylphenyl)ethyl]-5-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-1,2,4-oxadiazole
CID 118984605
5-[1-(benzenesulfonyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 27444747
5-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpiperidin-4-yl)-3-propan-2-yl-1,2,4-oxadiazole
CID 138809822
(E)-1-[(3S)-3-[3-[(2R)-butan-2-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3-phenylprop-2-en-1-one
CID 51984717
4-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-N-methylcyclohexan-1-amine
CID 63719470
5-[1-(4-nitrophenyl)sulfonylpiperidin-4-yl]-3-phenyl-1,2,4-oxadiazole
CID 19324632
1-[5-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120866304
N-[1-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperidin-4-yl]benzenesulfonamide
CID 40952437
1-(benzenesulfonyl)-3-butan-2-ylpyrrolidine
CID 134383141

Frequently Asked Questions

What is the IUPAC name of 5-[1-(benzenesulfonyl)piperidin-4-yl]-3-butan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(benzenesulfonyl)piperidin-4-yl]-3-butan-2-yl-1,2,4-oxadiazole (CID 56728016) is 5-[1-(benzenesulfonyl)piperidin-4-yl]-3-butan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(benzenesulfonyl)piperidin-4-yl]-3-butan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(benzenesulfonyl)piperidin-4-yl]-3-butan-2-yl-1,2,4-oxadiazole is CCC(C)c1noc(C2CCN(S(=O)(=O)c3ccccc3)CC2)n1.
What is the InChIKey of 5-[1-(benzenesulfonyl)piperidin-4-yl]-3-butan-2-yl-1,2,4-oxadiazole?
The InChIKey is FXHHLCOMHFZJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-3-13(2)16-18-17(23-19-16)14-9-11-20(12-10-14)24(21,22)15-7-5-4-6-8-15/h4-8,13-14H,3,9-12H2,1-2H3.
What are the key properties of 5-[1-(benzenesulfonyl)piperidin-4-yl]-3-butan-2-yl-1,2,4-oxadiazole?
5-[1-(benzenesulfonyl)piperidin-4-yl]-3-butan-2-yl-1,2,4-oxadiazole has a molecular weight of 349.46 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(benzenesulfonyl)piperidin-4-yl]-3-butan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 56728016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).