3-cyclopropyl-5-[[(3S)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole

C16H23N5O3S — CID 99993255

IUPAC3-cyclopropyl-5-[[(3S)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole
SMILESCc1nc(S(=O)(=O)N2CCC[C@@H](Cc3nc(C4CC4)no3)C2)cn1C
InChIInChI=1S/C16H23N5O3S/c1-11-17-15(10-20(11)2)25(22,23)21-7-3-4-12(9-21)8-14-18-16(19-24-14)13-5-6-13/h10,12-13H,3-9H2,1-2H3/t12-/m0/s1
InChIKeyCNVBKLKPQDTXPH-LBPRGKRZSA-N
MW365.46 g/mol
LogP1.63
Rot. Bonds5

About 3-cyclopropyl-5-[[(3S)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole

3-cyclopropyl-5-[[(3S)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole (PubChem CID 99993255) has the molecular formula C16H23N5O3S and a molecular weight of 365.46 g/mol. Its IUPAC name is 3-cyclopropyl-5-[[(3S)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[[(3S)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole
PubChem CID99993255
Molecular FormulaC16H23N5O3S
Molecular Weight365.46 g/mol
Exact Mass365.15
IUPAC Name3-cyclopropyl-5-[[(3S)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole
SMILESCc1nc(S(=O)(=O)N2CCC[C@@H](Cc3nc(C4CC4)no3)C2)cn1C
InChIInChI=1S/C16H23N5O3S/c1-11-17-15(10-20(11)2)25(22,23)21-7-3-4-12(9-21)8-14-18-16(19-24-14)13-5-6-13/h10,12-13H,3-9H2,1-2H3/t12-/m0/s1
InChIKeyCNVBKLKPQDTXPH-LBPRGKRZSA-N
XLogP1.63
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-cyclopropyl-5-[[(3S)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

3-cyclopropyl-5-[[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole
CID 90641803
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-[[(3S)-1-pyridin-3-ylsulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole
CID 99993043
3-cyclopropyl-5-[[(3S)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole
CID 99993262
3-cyclopropyl-5-[[(3R)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole
CID 99993259
3-cyclopropyl-5-[[(3R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole
CID 99993234
3-cyclopropyl-5-[[1-(2-methylquinolin-8-yl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole
CID 90641756
N-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]cyclopropanamine
CID 63878417
N-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]ethanamine
CID 63877731
3-cyclopropyl-5-[[1-(2-ethoxyphenyl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole
CID 90641764
3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]propanoic acid
CID 62062092

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[[(3S)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-[[(3S)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole (CID 99993255) is 3-cyclopropyl-5-[[(3S)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[[(3S)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-[[(3S)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole is Cc1nc(S(=O)(=O)N2CCC[C@@H](Cc3nc(C4CC4)no3)C2)cn1C.
What is the InChIKey of 3-cyclopropyl-5-[[(3S)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is CNVBKLKPQDTXPH-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H23N5O3S/c1-11-17-15(10-20(11)2)25(22,23)21-7-3-4-12(9-21)8-14-18-16(19-24-14)13-5-6-13/h10,12-13H,3-9H2,1-2H3/t12-/m0/s1.
What are the key properties of 3-cyclopropyl-5-[[(3S)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole?
3-cyclopropyl-5-[[(3S)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 365.46 g/mol, XLogP of 1.63, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[[(3S)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 99993255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).