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

C16H27N3O — CID 80601729

IUPAC3-cyclooctyl-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESCC1(c2nc(C3CCCCCCC3)no2)CCNCC1
InChIInChI=1S/C16H27N3O/c1-16(9-11-17-12-10-16)15-18-14(19-20-15)13-7-5-3-2-4-6-8-13/h13,17H,2-12H2,1H3
InChIKeyQEOBYXSKGZGMDO-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.54
Rot. Bonds2

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

3-cyclooctyl-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole (PubChem CID 80601729) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-cyclooctyl-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclooctyl-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
PubChem CID80601729
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name3-cyclooctyl-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESCC1(c2nc(C3CCCCCCC3)no2)CCNCC1
InChIInChI=1S/C16H27N3O/c1-16(9-11-17-12-10-16)15-18-14(19-20-15)13-7-5-3-2-4-6-8-13/h13,17H,2-12H2,1H3
InChIKeyQEOBYXSKGZGMDO-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1-methylcyclopropyl)-3-piperidin-4-yl-1,2,4-oxadiazole
CID 115025293
4-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)piperidin-4-ol
CID 106950067
3-(3-methylcyclohexyl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63145192
3-cyclopentyl-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63145228
3-cyclopropyl-5-(4-ethylpiperidin-4-yl)-1,2,4-oxadiazole
CID 63126024
5-(1-methylcyclohexyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 106828730
1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)cyclopropan-1-amine
CID 65466489
3-(cyclohexylsulfanylmethyl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 65140310
2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-2-methylcyclohexan-1-amine
CID 83213568
2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2-methylcyclohexan-1-amine
CID 83209965
3-cyclohexyl-5-(1-methylsulfonylcyclopentyl)-1,2,4-oxadiazole
CID 71980379
3-cyclopentyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 63709985

Frequently Asked Questions

What is the IUPAC name of 3-cyclooctyl-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-cyclooctyl-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole (CID 80601729) is 3-cyclooctyl-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclooctyl-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclooctyl-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole is CC1(c2nc(C3CCCCCCC3)no2)CCNCC1.
What is the InChIKey of 3-cyclooctyl-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole?
The InChIKey is QEOBYXSKGZGMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-16(9-11-17-12-10-16)15-18-14(19-20-15)13-7-5-3-2-4-6-8-13/h13,17H,2-12H2,1H3.
What are the key properties of 3-cyclooctyl-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole?
3-cyclooctyl-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole has a molecular weight of 277.41 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclooctyl-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 80601729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).