5-[1-(benzenesulfonyl)-4-methylpiperidin-4-yl]-3-phenyl-1,2,4-oxadiazole

C20H21N3O3S — CID 171336635

IUPAC5-[1-(benzenesulfonyl)-4-methylpiperidin-4-yl]-3-phenyl-1,2,4-oxadiazole
SMILESCC1(c2nc(-c3ccccc3)no2)CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C20H21N3O3S/c1-20(19-21-18(22-26-19)16-8-4-2-5-9-16)12-14-23(15-13-20)27(24,25)17-10-6-3-7-11-17/h2-11H,12-15H2,1H3
InChIKeyKZCDMYFMOUWVQP-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.48
Rot. Bonds4

About 5-[1-(benzenesulfonyl)-4-methylpiperidin-4-yl]-3-phenyl-1,2,4-oxadiazole

5-[1-(benzenesulfonyl)-4-methylpiperidin-4-yl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 171336635) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is 5-[1-(benzenesulfonyl)-4-methylpiperidin-4-yl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(benzenesulfonyl)-4-methylpiperidin-4-yl]-3-phenyl-1,2,4-oxadiazole
PubChem CID171336635
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name5-[1-(benzenesulfonyl)-4-methylpiperidin-4-yl]-3-phenyl-1,2,4-oxadiazole
SMILESCC1(c2nc(-c3ccccc3)no2)CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C20H21N3O3S/c1-20(19-21-18(22-26-19)16-8-4-2-5-9-16)12-14-23(15-13-20)27(24,25)17-10-6-3-7-11-17/h2-11H,12-15H2,1H3
InChIKeyKZCDMYFMOUWVQP-UHFFFAOYSA-N
XLogP3.48
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(benzenesulfonyl)-4,4-dimethylpiperidine
CID 58376409
1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropan-1-amine;hydrochloride
CID 119947729
4-[3-[4-(benzenesulfonyl)phenyl]-1,2,4-oxadiazol-5-yl]-1-methylpiperidin-4-ol
CID 166638314
5-[1-(benzenesulfonyl)piperidin-4-yl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 5138460
5-[1-(4-nitrophenyl)sulfonylpiperidin-4-yl]-3-phenyl-1,2,4-oxadiazole
CID 19324632
5-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 17493708
1-(benzenesulfonyl)-3,3-dimethylpyrrolidine
CID 13427462
7-(benzenesulfonyl)-2-oxa-7-azaspiro[3.5]nonane
CID 97399392
5-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 55477935
1-(benzenesulfonyl)-4-methylazepan-4-ol
CID 107407045
5-(3-methylphenyl)-3-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazole
CID 53075263
4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylmorpholine
CID 53042642

Frequently Asked Questions

What is the IUPAC name of 5-[1-(benzenesulfonyl)-4-methylpiperidin-4-yl]-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(benzenesulfonyl)-4-methylpiperidin-4-yl]-3-phenyl-1,2,4-oxadiazole (CID 171336635) is 5-[1-(benzenesulfonyl)-4-methylpiperidin-4-yl]-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(benzenesulfonyl)-4-methylpiperidin-4-yl]-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(benzenesulfonyl)-4-methylpiperidin-4-yl]-3-phenyl-1,2,4-oxadiazole is CC1(c2nc(-c3ccccc3)no2)CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 5-[1-(benzenesulfonyl)-4-methylpiperidin-4-yl]-3-phenyl-1,2,4-oxadiazole?
The InChIKey is KZCDMYFMOUWVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-20(19-21-18(22-26-19)16-8-4-2-5-9-16)12-14-23(15-13-20)27(24,25)17-10-6-3-7-11-17/h2-11H,12-15H2,1H3.
What are the key properties of 5-[1-(benzenesulfonyl)-4-methylpiperidin-4-yl]-3-phenyl-1,2,4-oxadiazole?
5-[1-(benzenesulfonyl)-4-methylpiperidin-4-yl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 383.47 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(benzenesulfonyl)-4-methylpiperidin-4-yl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 171336635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).