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

C16H27N3O2 — CID 116742913

IUPAC3-(1-ethoxy-3-methylcyclohexyl)-5-piperidin-4-yl-1,2,4-oxadiazole
SMILESCCOC1(c2noc(C3CCNCC3)n2)CCCC(C)C1
InChIInChI=1S/C16H27N3O2/c1-3-20-16(8-4-5-12(2)11-16)15-18-14(21-19-15)13-6-9-17-10-7-13/h12-13,17H,3-11H2,1-2H3
InChIKeyNEJYQLFJBMFSGW-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.98
Rot. Bonds4

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

3-(1-ethoxy-3-methylcyclohexyl)-5-piperidin-4-yl-1,2,4-oxadiazole (PubChem CID 116742913) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 3-(1-ethoxy-3-methylcyclohexyl)-5-piperidin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-ethoxy-3-methylcyclohexyl)-5-piperidin-4-yl-1,2,4-oxadiazole
PubChem CID116742913
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name3-(1-ethoxy-3-methylcyclohexyl)-5-piperidin-4-yl-1,2,4-oxadiazole
SMILESCCOC1(c2noc(C3CCNCC3)n2)CCCC(C)C1
InChIInChI=1S/C16H27N3O2/c1-3-20-16(8-4-5-12(2)11-16)15-18-14(21-19-15)13-6-9-17-10-7-13/h12-13,17H,3-11H2,1-2H3
InChIKeyNEJYQLFJBMFSGW-UHFFFAOYSA-N
XLogP2.98
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-ethoxycyclopentyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 116741504
3-(1-methoxy-3-methylcyclohexyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 116742790
3-[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 116742867
[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]hydrazine
CID 116778355
3-(1-ethoxy-3-methylcyclohexyl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 116742892
3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazole-5-carbaldehyde
CID 116780451
N-cyclopropyl-3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-amine
CID 116778278
N-[[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 116742888
4-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 116780823
4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one
CID 116780291
4-[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-amine
CID 116742919
3-(1-ethoxycyclopentyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 107071052

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxy-3-methylcyclohexyl)-5-piperidin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(1-ethoxy-3-methylcyclohexyl)-5-piperidin-4-yl-1,2,4-oxadiazole (CID 116742913) is 3-(1-ethoxy-3-methylcyclohexyl)-5-piperidin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-ethoxy-3-methylcyclohexyl)-5-piperidin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-ethoxy-3-methylcyclohexyl)-5-piperidin-4-yl-1,2,4-oxadiazole is CCOC1(c2noc(C3CCNCC3)n2)CCCC(C)C1.
What is the InChIKey of 3-(1-ethoxy-3-methylcyclohexyl)-5-piperidin-4-yl-1,2,4-oxadiazole?
The InChIKey is NEJYQLFJBMFSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-3-20-16(8-4-5-12(2)11-16)15-18-14(21-19-15)13-6-9-17-10-7-13/h12-13,17H,3-11H2,1-2H3.
What are the key properties of 3-(1-ethoxy-3-methylcyclohexyl)-5-piperidin-4-yl-1,2,4-oxadiazole?
3-(1-ethoxy-3-methylcyclohexyl)-5-piperidin-4-yl-1,2,4-oxadiazole has a molecular weight of 293.41 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxy-3-methylcyclohexyl)-5-piperidin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 116742913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).