3-(4,4-dimethylcyclohexyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole

C16H27N3O — CID 107070948

IUPAC3-(4,4-dimethylcyclohexyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole
SMILESCC1CCCNC1c1nc(C2CCC(C)(C)CC2)no1
InChIInChI=1S/C16H27N3O/c1-11-5-4-10-17-13(11)15-18-14(19-20-15)12-6-8-16(2,3)9-7-12/h11-13,17H,4-10H2,1-3H3
InChIKeyJAZWZAXMFDUGJL-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.81
Rot. Bonds2

About 3-(4,4-dimethylcyclohexyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole

3-(4,4-dimethylcyclohexyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole (PubChem CID 107070948) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-(4,4-dimethylcyclohexyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4,4-dimethylcyclohexyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole
PubChem CID107070948
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name3-(4,4-dimethylcyclohexyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole
SMILESCC1CCCNC1c1nc(C2CCC(C)(C)CC2)no1
InChIInChI=1S/C16H27N3O/c1-11-5-4-10-17-13(11)15-18-14(19-20-15)12-6-8-16(2,3)9-7-12/h11-13,17H,4-10H2,1-3H3
InChIKeyJAZWZAXMFDUGJL-UHFFFAOYSA-N
XLogP3.81
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclohexyl-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 102780786
3-cyclooctyl-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 102781089
3-(4,4-dimethylcyclohexyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911880
3-(4,4-dimethylcyclohexyl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 65390962
3-(3-ethylcyclohexyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 107070952
3-(2-bicyclo[2.2.1]heptanyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 107071027
5-(3-methylpiperidin-2-yl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazole
CID 107070929
3-tert-butyl-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 107070855
2-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
CID 65390483
3-(4,4-dimethylcyclohexyl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole
CID 82905089
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylmorpholine
CID 122236512
3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 107070934

Frequently Asked Questions

What is the IUPAC name of 3-(4,4-dimethylcyclohexyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(4,4-dimethylcyclohexyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole (CID 107070948) is 3-(4,4-dimethylcyclohexyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4,4-dimethylcyclohexyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(4,4-dimethylcyclohexyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole is CC1CCCNC1c1nc(C2CCC(C)(C)CC2)no1.
What is the InChIKey of 3-(4,4-dimethylcyclohexyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole?
The InChIKey is JAZWZAXMFDUGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-11-5-4-10-17-13(11)15-18-14(19-20-15)12-6-8-16(2,3)9-7-12/h11-13,17H,4-10H2,1-3H3.
What are the key properties of 3-(4,4-dimethylcyclohexyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole?
3-(4,4-dimethylcyclohexyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole has a molecular weight of 277.41 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-dimethylcyclohexyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 107070948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).