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

C17H29N3O — CID 104597603

IUPAC5-(2-methylpiperidin-2-yl)-3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazole
SMILESCC(C)C1CCC(c2noc(C3(C)CCCCN3)n2)CC1
InChIInChI=1S/C17H29N3O/c1-12(2)13-6-8-14(9-7-13)15-19-16(21-20-15)17(3)10-4-5-11-18-17/h12-14,18H,4-11H2,1-3H3
InChIKeyFKRDARQPXOSHCE-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.99
Rot. Bonds3

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

5-(2-methylpiperidin-2-yl)-3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazole (PubChem CID 104597603) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 5-(2-methylpiperidin-2-yl)-3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-methylpiperidin-2-yl)-3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazole
PubChem CID104597603
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name5-(2-methylpiperidin-2-yl)-3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazole
SMILESCC(C)C1CCC(c2noc(C3(C)CCCCN3)n2)CC1
InChIInChI=1S/C17H29N3O/c1-12(2)13-6-8-14(9-7-13)15-19-16(21-20-15)17(3)10-4-5-11-18-17/h12-14,18H,4-11H2,1-3H3
InChIKeyFKRDARQPXOSHCE-UHFFFAOYSA-N
XLogP3.99
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpiperidin-2-yl)-3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-methylpiperidin-2-yl)-3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazole (CID 104597603) is 5-(2-methylpiperidin-2-yl)-3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-methylpiperidin-2-yl)-3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-methylpiperidin-2-yl)-3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazole is CC(C)C1CCC(c2noc(C3(C)CCCCN3)n2)CC1.
What is the InChIKey of 5-(2-methylpiperidin-2-yl)-3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazole?
The InChIKey is FKRDARQPXOSHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-12(2)13-6-8-14(9-7-13)15-19-16(21-20-15)17(3)10-4-5-11-18-17/h12-14,18H,4-11H2,1-3H3.
What are the key properties of 5-(2-methylpiperidin-2-yl)-3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazole?
5-(2-methylpiperidin-2-yl)-3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazole has a molecular weight of 291.44 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpiperidin-2-yl)-3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazole is sourced from PubChem (CID 104597603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).