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

C15H25N3O — CID 62690301

IUPAC3-(4-methylcyclohexyl)-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
SMILESCC1CCC(c2noc(CC3CCCNC3)n2)CC1
InChIInChI=1S/C15H25N3O/c1-11-4-6-13(7-5-11)15-17-14(19-18-15)9-12-3-2-8-16-10-12/h11-13,16H,2-10H2,1H3
InChIKeyLAYWCFJYGXTLCK-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.91
Rot. Bonds3

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

3-(4-methylcyclohexyl)-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole (PubChem CID 62690301) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-(4-methylcyclohexyl)-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-methylcyclohexyl)-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
PubChem CID62690301
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name3-(4-methylcyclohexyl)-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
SMILESCC1CCC(c2noc(CC3CCCNC3)n2)CC1
InChIInChI=1S/C15H25N3O/c1-11-4-6-13(7-5-11)15-17-14(19-18-15)9-12-3-2-8-16-10-12/h11-13,16H,2-10H2,1H3
InChIKeyLAYWCFJYGXTLCK-UHFFFAOYSA-N
XLogP2.91
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylcyclohexyl)-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(4-methylcyclohexyl)-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole (CID 62690301) is 3-(4-methylcyclohexyl)-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-methylcyclohexyl)-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-methylcyclohexyl)-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole is CC1CCC(c2noc(CC3CCCNC3)n2)CC1.
What is the InChIKey of 3-(4-methylcyclohexyl)-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is LAYWCFJYGXTLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-11-4-6-13(7-5-11)15-17-14(19-18-15)9-12-3-2-8-16-10-12/h11-13,16H,2-10H2,1H3.
What are the key properties of 3-(4-methylcyclohexyl)-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole?
3-(4-methylcyclohexyl)-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 263.38 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylcyclohexyl)-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 62690301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).