3-(tert-butylsulfanylmethyl)-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole

C15H27N3OS — CID 65133231

IUPAC3-(tert-butylsulfanylmethyl)-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole
SMILESCCCC1(c2nc(CSC(C)(C)C)no2)CCCNC1
InChIInChI=1S/C15H27N3OS/c1-5-7-15(8-6-9-16-11-15)13-17-12(18-19-13)10-20-14(2,3)4/h16H,5-11H2,1-4H3
InChIKeyGZQKWAVMUHFNDG-UHFFFAOYSA-N
MW297.47 g/mol
LogP3.52
Rot. Bonds5

About 3-(tert-butylsulfanylmethyl)-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole

3-(tert-butylsulfanylmethyl)-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole (PubChem CID 65133231) has the molecular formula C15H27N3OS and a molecular weight of 297.47 g/mol. Its IUPAC name is 3-(tert-butylsulfanylmethyl)-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(tert-butylsulfanylmethyl)-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole
PubChem CID65133231
Molecular FormulaC15H27N3OS
Molecular Weight297.47 g/mol
Exact Mass297.19
IUPAC Name3-(tert-butylsulfanylmethyl)-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole
SMILESCCCC1(c2nc(CSC(C)(C)C)no2)CCCNC1
InChIInChI=1S/C15H27N3OS/c1-5-7-15(8-6-9-16-11-15)13-17-12(18-19-13)10-20-14(2,3)4/h16H,5-11H2,1-4H3
InChIKeyGZQKWAVMUHFNDG-UHFFFAOYSA-N
XLogP3.52
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-tert-butyl-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole
CID 63137913
3-ethyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63144433
3-(butan-2-ylsulfanylmethyl)-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 65137263
3-(3-methylbutyl)-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 55165950
3-(2-methylcyclopropyl)-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole
CID 65421668
3-piperidin-1-yl-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole
CID 116807232
3-(4-methylpiperazin-1-yl)-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole
CID 116807805
3-(1-methoxybutyl)-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole
CID 116702693
5-(3-ethylpyrrolidin-3-yl)-3-(methylsulfanylmethyl)-1,2,4-oxadiazole
CID 63145108
3-methyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 55220676
5-(3-propylpyrrolidin-3-yl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole
CID 103472505
5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-amine
CID 65415962

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylsulfanylmethyl)-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(tert-butylsulfanylmethyl)-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole (CID 65133231) is 3-(tert-butylsulfanylmethyl)-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(tert-butylsulfanylmethyl)-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(tert-butylsulfanylmethyl)-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole is CCCC1(c2nc(CSC(C)(C)C)no2)CCCNC1.
What is the InChIKey of 3-(tert-butylsulfanylmethyl)-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole?
The InChIKey is GZQKWAVMUHFNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3OS/c1-5-7-15(8-6-9-16-11-15)13-17-12(18-19-13)10-20-14(2,3)4/h16H,5-11H2,1-4H3.
What are the key properties of 3-(tert-butylsulfanylmethyl)-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole?
3-(tert-butylsulfanylmethyl)-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole has a molecular weight of 297.47 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylsulfanylmethyl)-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 65133231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).