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

C14H23N3O — CID 106828730

IUPAC5-(1-methylcyclohexyl)-3-piperidin-2-yl-1,2,4-oxadiazole
SMILESCC1(c2nc(C3CCCCN3)no2)CCCCC1
InChIInChI=1S/C14H23N3O/c1-14(8-4-2-5-9-14)13-16-12(17-18-13)11-7-3-6-10-15-11/h11,15H,2-10H2,1H3
InChIKeyKOIXPCIQYPYMIG-UHFFFAOYSA-N
MW249.36 g/mol
LogP3.11
Rot. Bonds2

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

5-(1-methylcyclohexyl)-3-piperidin-2-yl-1,2,4-oxadiazole (PubChem CID 106828730) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 5-(1-methylcyclohexyl)-3-piperidin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-methylcyclohexyl)-3-piperidin-2-yl-1,2,4-oxadiazole
PubChem CID106828730
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name5-(1-methylcyclohexyl)-3-piperidin-2-yl-1,2,4-oxadiazole
SMILESCC1(c2nc(C3CCCCN3)no2)CCCCC1
InChIInChI=1S/C14H23N3O/c1-14(8-4-2-5-9-14)13-16-12(17-18-13)11-7-3-6-10-15-11/h11,15H,2-10H2,1H3
InChIKeyKOIXPCIQYPYMIG-UHFFFAOYSA-N
XLogP3.11
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[(2S)-azepan-2-yl]-1,2,4-oxadiazol-5-yl]cyclobutane-1-carbonitrile
CID 97345799
3-[(2S)-azepan-2-yl]-5-[1-(2-methoxyethyl)cyclobutyl]-1,2,4-oxadiazole
CID 97345782
3-cyclooctyl-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 80601729
5-methyl-3-piperidin-2-yl-1,2,4-oxadiazole;dihydrochloride
CID 54592757
5-(azocan-2-yl)-3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazole
CID 114239832
3-(azepan-2-yl)-5-(2-methylpropyl)-1,2,4-oxadiazole
CID 84688673
5-(1-methylcyclopropyl)-3-piperidin-4-yl-1,2,4-oxadiazole
CID 115025293
5-cyclodecyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 123446995
2-(1-methylcyclobutyl)-5-piperidin-2-yl-1,3,4-oxadiazole
CID 115032776
3-(azepan-2-yl)-5-(2,6-difluorophenyl)-1,2,4-oxadiazole
CID 104541119
3-(azepan-2-yl)-5-(3-tricyclo[3.2.1.02,4]octanyl)-1,2,4-oxadiazole
CID 103972198
3-(azepan-2-yl)-5-(3,5-dimethylphenyl)-1,2,4-oxadiazole
CID 103972133

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylcyclohexyl)-3-piperidin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(1-methylcyclohexyl)-3-piperidin-2-yl-1,2,4-oxadiazole (CID 106828730) is 5-(1-methylcyclohexyl)-3-piperidin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-methylcyclohexyl)-3-piperidin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-methylcyclohexyl)-3-piperidin-2-yl-1,2,4-oxadiazole is CC1(c2nc(C3CCCCN3)no2)CCCCC1.
What is the InChIKey of 5-(1-methylcyclohexyl)-3-piperidin-2-yl-1,2,4-oxadiazole?
The InChIKey is KOIXPCIQYPYMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-14(8-4-2-5-9-14)13-16-12(17-18-13)11-7-3-6-10-15-11/h11,15H,2-10H2,1H3.
What are the key properties of 5-(1-methylcyclohexyl)-3-piperidin-2-yl-1,2,4-oxadiazole?
5-(1-methylcyclohexyl)-3-piperidin-2-yl-1,2,4-oxadiazole has a molecular weight of 249.36 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylcyclohexyl)-3-piperidin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 106828730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).