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

C16H27N3O2 — CID 116743183

IUPAC3-(1-methoxycycloheptyl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole
SMILESCOC1(c2noc(C3(C)CCCCN3)n2)CCCCCC1
InChIInChI=1S/C16H27N3O2/c1-15(9-7-8-12-17-15)14-18-13(19-21-14)16(20-2)10-5-3-4-6-11-16/h17H,3-12H2,1-2H3
InChIKeyXYXLDSFXSQASLO-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.25
Rot. Bonds3

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

3-(1-methoxycycloheptyl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole (PubChem CID 116743183) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 3-(1-methoxycycloheptyl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-methoxycycloheptyl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole
PubChem CID116743183
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name3-(1-methoxycycloheptyl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole
SMILESCOC1(c2noc(C3(C)CCCCN3)n2)CCCCCC1
InChIInChI=1S/C16H27N3O2/c1-15(9-7-8-12-17-15)14-18-13(19-21-14)16(20-2)10-5-3-4-6-11-16/h17H,3-12H2,1-2H3
InChIKeyXYXLDSFXSQASLO-UHFFFAOYSA-N
XLogP3.25
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-ethoxycyclopentyl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 116741448
3-(4-ethoxyoxan-4-yl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 116742298
3-(1-methoxycyclohexyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 106978030
2-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclohexan-1-amine
CID 116741632
2-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine
CID 116743165
5-(azepan-2-yl)-3-(1-methoxycyclopentyl)-1,2,4-oxadiazole
CID 104609716
2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclohexan-1-amine
CID 116701344
3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-amine
CID 104609719
3-(2-ethoxypropan-2-yl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 116704540
3-(azepan-1-yl)-5-(2-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 116807938
3-(1-methoxycyclohexyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104912078
5-(2-methylpiperidin-2-yl)-3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazole
CID 104597603

Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxycycloheptyl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1-methoxycycloheptyl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole (CID 116743183) is 3-(1-methoxycycloheptyl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-methoxycycloheptyl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-methoxycycloheptyl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole is COC1(c2noc(C3(C)CCCCN3)n2)CCCCCC1.
What is the InChIKey of 3-(1-methoxycycloheptyl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole?
The InChIKey is XYXLDSFXSQASLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-15(9-7-8-12-17-15)14-18-13(19-21-14)16(20-2)10-5-3-4-6-11-16/h17H,3-12H2,1-2H3.
What are the key properties of 3-(1-methoxycycloheptyl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole?
3-(1-methoxycycloheptyl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole has a molecular weight of 293.41 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxycycloheptyl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 116743183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).