2-cyclobutyl-5-[1-(3-methylphenyl)sulfonylpiperidin-2-yl]-1,3,4-oxadiazole

C18H23N3O3S — CID 136542510

IUPAC2-cyclobutyl-5-[1-(3-methylphenyl)sulfonylpiperidin-2-yl]-1,3,4-oxadiazole
SMILESCc1cccc(S(=O)(=O)N2CCCCC2c2nnc(C3CCC3)o2)c1
InChIInChI=1S/C18H23N3O3S/c1-13-6-4-9-15(12-13)25(22,23)21-11-3-2-10-16(21)18-20-19-17(24-18)14-7-5-8-14/h4,6,9,12,14,16H,2-3,5,7-8,10-11H2,1H3
InChIKeyPSIPZRQGWZNSOE-UHFFFAOYSA-N
MW361.47 g/mol
LogP3.56
Rot. Bonds4

About 2-cyclobutyl-5-[1-(3-methylphenyl)sulfonylpiperidin-2-yl]-1,3,4-oxadiazole

2-cyclobutyl-5-[1-(3-methylphenyl)sulfonylpiperidin-2-yl]-1,3,4-oxadiazole (PubChem CID 136542510) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 2-cyclobutyl-5-[1-(3-methylphenyl)sulfonylpiperidin-2-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-cyclobutyl-5-[1-(3-methylphenyl)sulfonylpiperidin-2-yl]-1,3,4-oxadiazole
PubChem CID136542510
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name2-cyclobutyl-5-[1-(3-methylphenyl)sulfonylpiperidin-2-yl]-1,3,4-oxadiazole
SMILESCc1cccc(S(=O)(=O)N2CCCCC2c2nnc(C3CCC3)o2)c1
InChIInChI=1S/C18H23N3O3S/c1-13-6-4-9-15(12-13)25(22,23)21-11-3-2-10-16(21)18-20-19-17(24-18)14-7-5-8-14/h4,6,9,12,14,16H,2-3,5,7-8,10-11H2,1H3
InChIKeyPSIPZRQGWZNSOE-UHFFFAOYSA-N
XLogP3.56
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclobutyl-5-(1-ethylsulfonylpiperidin-2-yl)-1,3,4-oxadiazole
CID 128991904
2-[(2S)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 92558047
2-[(2S)-1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]-4-phenyl-5-propan-2-yl-1,3-oxazole
CID 95785088
N-[[1-(3-methylphenyl)sulfonylpiperidin-2-yl]methyl]propan-2-amine
CID 63880338
N-[[1-(3-methylphenyl)sulfonylpiperidin-2-yl]methyl]ethanamine
CID 63879819
2-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-5-methylsulfonyl-1,3,4-oxadiazole
CID 11937567
2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-5-pyridin-2-yl-1,3,4-oxadiazole
CID 124952572
2-(bromomethyl)-1-(3-methylphenyl)sulfonylpiperidine
CID 80676500
2-methyl-1-(3-methylphenyl)sulfonylpyrrolidine
CID 110728239
2-[(2R)-1-(3-chlorophenyl)sulfonylpyrrolidin-2-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
CID 92598859
2-methyl-5-[(2S)-1-(2-methylphenyl)sulfonylazepan-2-yl]-1,3,4-oxadiazole
CID 164630808
2-[(2S)-1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 92569582

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-5-[1-(3-methylphenyl)sulfonylpiperidin-2-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-cyclobutyl-5-[1-(3-methylphenyl)sulfonylpiperidin-2-yl]-1,3,4-oxadiazole (CID 136542510) is 2-cyclobutyl-5-[1-(3-methylphenyl)sulfonylpiperidin-2-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-cyclobutyl-5-[1-(3-methylphenyl)sulfonylpiperidin-2-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-cyclobutyl-5-[1-(3-methylphenyl)sulfonylpiperidin-2-yl]-1,3,4-oxadiazole is Cc1cccc(S(=O)(=O)N2CCCCC2c2nnc(C3CCC3)o2)c1.
What is the InChIKey of 2-cyclobutyl-5-[1-(3-methylphenyl)sulfonylpiperidin-2-yl]-1,3,4-oxadiazole?
The InChIKey is PSIPZRQGWZNSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-13-6-4-9-15(12-13)25(22,23)21-11-3-2-10-16(21)18-20-19-17(24-18)14-7-5-8-14/h4,6,9,12,14,16H,2-3,5,7-8,10-11H2,1H3.
What are the key properties of 2-cyclobutyl-5-[1-(3-methylphenyl)sulfonylpiperidin-2-yl]-1,3,4-oxadiazole?
2-cyclobutyl-5-[1-(3-methylphenyl)sulfonylpiperidin-2-yl]-1,3,4-oxadiazole has a molecular weight of 361.47 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-5-[1-(3-methylphenyl)sulfonylpiperidin-2-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 136542510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).