3-tert-butyl-5-[4-[4-(4-methylsulfonylphenoxy)cyclohexyl]oxypiperidin-1-yl]-1,2,4-oxadiazole

C24H35N3O5S — CID 67457434

IUPAC3-tert-butyl-5-[4-[4-(4-methylsulfonylphenoxy)cyclohexyl]oxypiperidin-1-yl]-1,2,4-oxadiazole
SMILESCC(C)(C)c1noc(N2CCC(OC3CCC(Oc4ccc(S(C)(=O)=O)cc4)CC3)CC2)n1
InChIInChI=1S/C24H35N3O5S/c1-24(2,3)22-25-23(32-26-22)27-15-13-20(14-16-27)31-18-7-5-17(6-8-18)30-19-9-11-21(12-10-19)33(4,28)29/h9-12,17-18,20H,5-8,13-16H2,1-4H3
InChIKeyRVRMLICCNMPMKR-UHFFFAOYSA-N
MW477.63 g/mol
LogP4.15
Rot. Bonds6

About 3-tert-butyl-5-[4-[4-(4-methylsulfonylphenoxy)cyclohexyl]oxypiperidin-1-yl]-1,2,4-oxadiazole

3-tert-butyl-5-[4-[4-(4-methylsulfonylphenoxy)cyclohexyl]oxypiperidin-1-yl]-1,2,4-oxadiazole (PubChem CID 67457434) has the molecular formula C24H35N3O5S and a molecular weight of 477.63 g/mol. Its IUPAC name is 3-tert-butyl-5-[4-[4-(4-methylsulfonylphenoxy)cyclohexyl]oxypiperidin-1-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-tert-butyl-5-[4-[4-(4-methylsulfonylphenoxy)cyclohexyl]oxypiperidin-1-yl]-1,2,4-oxadiazole
PubChem CID67457434
Molecular FormulaC24H35N3O5S
Molecular Weight477.63 g/mol
Exact Mass477.23
IUPAC Name3-tert-butyl-5-[4-[4-(4-methylsulfonylphenoxy)cyclohexyl]oxypiperidin-1-yl]-1,2,4-oxadiazole
SMILESCC(C)(C)c1noc(N2CCC(OC3CCC(Oc4ccc(S(C)(=O)=O)cc4)CC3)CC2)n1
InChIInChI=1S/C24H35N3O5S/c1-24(2,3)22-25-23(32-26-22)27-15-13-20(14-16-27)31-18-7-5-17(6-8-18)30-19-9-11-21(12-10-19)33(4,28)29/h9-12,17-18,20H,5-8,13-16H2,1-4H3
InChIKeyRVRMLICCNMPMKR-UHFFFAOYSA-N
XLogP4.15
TPSA94.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.63
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-tert-butyl-5-[4-[4-(4-methylsulfonylphenoxy)cyclohexyl]oxypiperidin-1-yl]-1,2,4-oxadiazole with MolForge

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Related Compounds

3-tert-butyl-5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazole
CID 118385016
4-[4-(4-methylsulfonylphenoxy)cyclohexyl]oxy-1-propan-2-ylsulfonylpiperidine
CID 67448980
3-ethoxy-6-[4-[4-(4-methylsulfonylphenoxy)cyclohexyl]oxypiperidin-1-yl]pyridazine
CID 67451014
(2S)-2-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]-2-methyl-5-(4-methylsulfonylphenyl)-3H-furo[2,3-c]pyridine
CID 71208092
5-[4-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 67616450
4-(4-methylsulfonylphenoxy)cyclohexan-1-amine
CID 55115555
4-(4-methylsulfonylphenoxy)piperidine-1-carboxamide
CID 71166636
5-[4-[1-(3-methylsulfonylphenoxy)ethyl]piperidin-1-yl]-3-(trifluoromethyl)-1,2,4-oxadiazole
CID 175219541
tert-butyl 3-[4-(4-methylsulfonylphenoxy)cyclohexyl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 78097065
5-[4-[4-(4-methylsulfonylphenoxy)pyrazol-1-yl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 69053566
5-[4-[1-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 59177801
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)morpholine
CID 58523596

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-[4-[4-(4-methylsulfonylphenoxy)cyclohexyl]oxypiperidin-1-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-tert-butyl-5-[4-[4-(4-methylsulfonylphenoxy)cyclohexyl]oxypiperidin-1-yl]-1,2,4-oxadiazole (CID 67457434) is 3-tert-butyl-5-[4-[4-(4-methylsulfonylphenoxy)cyclohexyl]oxypiperidin-1-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-tert-butyl-5-[4-[4-(4-methylsulfonylphenoxy)cyclohexyl]oxypiperidin-1-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-tert-butyl-5-[4-[4-(4-methylsulfonylphenoxy)cyclohexyl]oxypiperidin-1-yl]-1,2,4-oxadiazole is CC(C)(C)c1noc(N2CCC(OC3CCC(Oc4ccc(S(C)(=O)=O)cc4)CC3)CC2)n1.
What is the InChIKey of 3-tert-butyl-5-[4-[4-(4-methylsulfonylphenoxy)cyclohexyl]oxypiperidin-1-yl]-1,2,4-oxadiazole?
The InChIKey is RVRMLICCNMPMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O5S/c1-24(2,3)22-25-23(32-26-22)27-15-13-20(14-16-27)31-18-7-5-17(6-8-18)30-19-9-11-21(12-10-19)33(4,28)29/h9-12,17-18,20H,5-8,13-16H2,1-4H3.
What are the key properties of 3-tert-butyl-5-[4-[4-(4-methylsulfonylphenoxy)cyclohexyl]oxypiperidin-1-yl]-1,2,4-oxadiazole?
3-tert-butyl-5-[4-[4-(4-methylsulfonylphenoxy)cyclohexyl]oxypiperidin-1-yl]-1,2,4-oxadiazole has a molecular weight of 477.63 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-[4-[4-(4-methylsulfonylphenoxy)cyclohexyl]oxypiperidin-1-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 67457434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).