3-cyclopropyl-5-[[1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]methyl]-1,2,4-oxadiazole

C19H25N3O3S — CID 90641772

IUPAC3-cyclopropyl-5-[[1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]methyl]-1,2,4-oxadiazole
SMILESCc1cccc(CS(=O)(=O)N2CCCC(Cc3nc(C4CC4)no3)C2)c1
InChIInChI=1S/C19H25N3O3S/c1-14-4-2-5-16(10-14)13-26(23,24)22-9-3-6-15(12-22)11-18-20-19(21-25-18)17-7-8-17/h2,4-5,10,15,17H,3,6-9,11-13H2,1H3
InChIKeyPPOQAISURXGVRN-UHFFFAOYSA-N
MW375.49 g/mol
LogP3.04
Rot. Bonds6

About 3-cyclopropyl-5-[[1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]methyl]-1,2,4-oxadiazole

3-cyclopropyl-5-[[1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]methyl]-1,2,4-oxadiazole (PubChem CID 90641772) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is 3-cyclopropyl-5-[[1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[[1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]methyl]-1,2,4-oxadiazole
PubChem CID90641772
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name3-cyclopropyl-5-[[1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]methyl]-1,2,4-oxadiazole
SMILESCc1cccc(CS(=O)(=O)N2CCCC(Cc3nc(C4CC4)no3)C2)c1
InChIInChI=1S/C19H25N3O3S/c1-14-4-2-5-16(10-14)13-26(23,24)22-9-3-6-15(12-22)11-18-20-19(21-25-18)17-7-8-17/h2,4-5,10,15,17H,3,6-9,11-13H2,1H3
InChIKeyPPOQAISURXGVRN-UHFFFAOYSA-N
XLogP3.04
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclopropyl-5-[[(3S)-1-ethylsulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole
CID 99993031
3-cyclopropyl-5-[[1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole
CID 90641759
3-cyclopropyl-5-[[1-(2-methylquinolin-8-yl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole
CID 90641756
3-cyclopropyl-5-[[(3R)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole
CID 99993259
3-cyclopropyl-5-[[(3S)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole
CID 99993262
1-[(3-methylphenyl)methylsulfonyl]piperidin-3-amine;hydrochloride
CID 119959520
3-cyclopropyl-5-[[(3S)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole
CID 99993255
3-cyclopropyl-5-[[(3S)-1-pyridin-3-ylsulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole
CID 99993043
3-cyclopropyl-5-[(1-quinolin-8-ylsulfonylpiperidin-3-yl)methyl]-1,2,4-oxadiazole
CID 90641757
3-cyclopropyl-5-[[1-(2-ethoxyphenyl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole
CID 90641764
5-bromo-2-[[1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]methoxy]pyrimidine
CID 138988558
3-cyclopropyl-5-[[(3R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole
CID 99993234

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[[1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-[[1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]methyl]-1,2,4-oxadiazole (CID 90641772) is 3-cyclopropyl-5-[[1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[[1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-[[1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]methyl]-1,2,4-oxadiazole is Cc1cccc(CS(=O)(=O)N2CCCC(Cc3nc(C4CC4)no3)C2)c1.
What is the InChIKey of 3-cyclopropyl-5-[[1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is PPOQAISURXGVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-14-4-2-5-16(10-14)13-26(23,24)22-9-3-6-15(12-22)11-18-20-19(21-25-18)17-7-8-17/h2,4-5,10,15,17H,3,6-9,11-13H2,1H3.
What are the key properties of 3-cyclopropyl-5-[[1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]methyl]-1,2,4-oxadiazole?
3-cyclopropyl-5-[[1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 375.49 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[[1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 90641772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).