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

C16H27N3O — CID 65425392

IUPAC5-piperidin-4-yl-3-(4-propylcyclohexyl)-1,2,4-oxadiazole
SMILESCCCC1CCC(c2noc(C3CCNCC3)n2)CC1
InChIInChI=1S/C16H27N3O/c1-2-3-12-4-6-13(7-5-12)15-18-16(20-19-15)14-8-10-17-11-9-14/h12-14,17H,2-11H2,1H3
InChIKeyWMVUBQOBXYYBLR-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.61
Rot. Bonds4

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

5-piperidin-4-yl-3-(4-propylcyclohexyl)-1,2,4-oxadiazole (PubChem CID 65425392) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 5-piperidin-4-yl-3-(4-propylcyclohexyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-piperidin-4-yl-3-(4-propylcyclohexyl)-1,2,4-oxadiazole
PubChem CID65425392
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name5-piperidin-4-yl-3-(4-propylcyclohexyl)-1,2,4-oxadiazole
SMILESCCCC1CCC(c2noc(C3CCNCC3)n2)CC1
InChIInChI=1S/C16H27N3O/c1-2-3-12-4-6-13(7-5-12)15-18-16(20-19-15)14-8-10-17-11-9-14/h12-14,17H,2-11H2,1H3
InChIKeyWMVUBQOBXYYBLR-UHFFFAOYSA-N
XLogP3.61
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-propylcyclohexyl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole
CID 82905254
4-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 65395750
5-(4-methoxypyrrolidin-2-yl)-3-(4-propylcyclohexyl)-1,2,4-oxadiazole
CID 65424805
[4-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 79525079
5-(oxolan-3-yl)-3-piperidin-4-yl-1,2,4-oxadiazole
CID 63015557
1-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 65422874
5-(4-fluorophenyl)-3-(4-propylcyclohexyl)-1,2,4-oxadiazole
CID 141290235
5-(azetidin-3-yl)-3-cyclopropyl-1,2,4-oxadiazole;hydrochloride
CID 71778975
3-(4,4-dimethylcyclohexyl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 65390962
3-[4-(4-fluorophenyl)phenyl]-5-(4-propylcyclohexyl)-1,2,4-oxadiazole
CID 3095336
3-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 65424422
1-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 65423654

Frequently Asked Questions

What is the IUPAC name of 5-piperidin-4-yl-3-(4-propylcyclohexyl)-1,2,4-oxadiazole?
The IUPAC name of 5-piperidin-4-yl-3-(4-propylcyclohexyl)-1,2,4-oxadiazole (CID 65425392) is 5-piperidin-4-yl-3-(4-propylcyclohexyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-piperidin-4-yl-3-(4-propylcyclohexyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-piperidin-4-yl-3-(4-propylcyclohexyl)-1,2,4-oxadiazole is CCCC1CCC(c2noc(C3CCNCC3)n2)CC1.
What is the InChIKey of 5-piperidin-4-yl-3-(4-propylcyclohexyl)-1,2,4-oxadiazole?
The InChIKey is WMVUBQOBXYYBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-2-3-12-4-6-13(7-5-12)15-18-16(20-19-15)14-8-10-17-11-9-14/h12-14,17H,2-11H2,1H3.
What are the key properties of 5-piperidin-4-yl-3-(4-propylcyclohexyl)-1,2,4-oxadiazole?
5-piperidin-4-yl-3-(4-propylcyclohexyl)-1,2,4-oxadiazole has a molecular weight of 277.41 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-4-yl-3-(4-propylcyclohexyl)-1,2,4-oxadiazole is sourced from PubChem (CID 65425392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).