3-(2-methylpropylsulfanylmethyl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole

C15H27N3OS — CID 83197518

IUPAC3-(2-methylpropylsulfanylmethyl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole
SMILESCC(C)CSCc1noc(C(C)(C)C2CCCNC2)n1
InChIInChI=1S/C15H27N3OS/c1-11(2)9-20-10-13-17-14(19-18-13)15(3,4)12-6-5-7-16-8-12/h11-12,16H,5-10H2,1-4H3
InChIKeyJHKOGMMNUDBBGD-UHFFFAOYSA-N
MW297.47 g/mol
LogP3.24
Rot. Bonds6

About 3-(2-methylpropylsulfanylmethyl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole

3-(2-methylpropylsulfanylmethyl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole (PubChem CID 83197518) has the molecular formula C15H27N3OS and a molecular weight of 297.47 g/mol. Its IUPAC name is 3-(2-methylpropylsulfanylmethyl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-methylpropylsulfanylmethyl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole
PubChem CID83197518
Molecular FormulaC15H27N3OS
Molecular Weight297.47 g/mol
Exact Mass297.19
IUPAC Name3-(2-methylpropylsulfanylmethyl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole
SMILESCC(C)CSCc1noc(C(C)(C)C2CCCNC2)n1
InChIInChI=1S/C15H27N3OS/c1-11(2)9-20-10-13-17-14(19-18-13)15(3,4)12-6-5-7-16-8-12/h11-12,16H,5-10H2,1-4H3
InChIKeyJHKOGMMNUDBBGD-UHFFFAOYSA-N
XLogP3.24
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-methoxypropyl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole
CID 83197137
5-tert-butyl-3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazole
CID 78850842
5-(2-piperidin-3-ylpropan-2-yl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
CID 83197748
3-(2-methylpropylsulfanylmethyl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 65138278
1,1,1-trifluoro-2-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 79798413
1-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 65138273
2-ethyl-2-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 113308673
3-(1-methylpyrazol-4-yl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole
CID 83197674
3-(3-methylphenyl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole
CID 83199420
3-(2-methylfuran-3-yl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole
CID 104788733
3-(3-chlorophenyl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole
CID 83199422
cyclohexyl-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 65138066

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropylsulfanylmethyl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2-methylpropylsulfanylmethyl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole (CID 83197518) is 3-(2-methylpropylsulfanylmethyl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-methylpropylsulfanylmethyl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-methylpropylsulfanylmethyl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole is CC(C)CSCc1noc(C(C)(C)C2CCCNC2)n1.
What is the InChIKey of 3-(2-methylpropylsulfanylmethyl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole?
The InChIKey is JHKOGMMNUDBBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3OS/c1-11(2)9-20-10-13-17-14(19-18-13)15(3,4)12-6-5-7-16-8-12/h11-12,16H,5-10H2,1-4H3.
What are the key properties of 3-(2-methylpropylsulfanylmethyl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole?
3-(2-methylpropylsulfanylmethyl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole has a molecular weight of 297.47 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropylsulfanylmethyl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 83197518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).