3-[cyclohexyl(ethoxy)methyl]-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole

C16H27N3O2 — CID 104912103

IUPAC3-[cyclohexyl(ethoxy)methyl]-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
SMILESCCOC(c1noc([C@H]2CCCNC2)n1)C1CCCCC1
InChIInChI=1S/C16H27N3O2/c1-2-20-14(12-7-4-3-5-8-12)15-18-16(21-19-15)13-9-6-10-17-11-13/h12-14,17H,2-11H2,1H3/t13-,14?/m0/s1
InChIKeyMYZWOCQNILXNER-LSLKUGRBSA-N
MW293.41 g/mol
LogP3.19
Rot. Bonds5

About 3-[cyclohexyl(ethoxy)methyl]-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole

3-[cyclohexyl(ethoxy)methyl]-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole (PubChem CID 104912103) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 3-[cyclohexyl(ethoxy)methyl]-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[cyclohexyl(ethoxy)methyl]-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
PubChem CID104912103
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name3-[cyclohexyl(ethoxy)methyl]-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
SMILESCCOC(c1noc([C@H]2CCCNC2)n1)C1CCCCC1
InChIInChI=1S/C16H27N3O2/c1-2-20-14(12-7-4-3-5-8-12)15-18-16(21-19-15)13-9-6-10-17-11-13/h12-14,17H,2-11H2,1H3/t13-,14?/m0/s1
InChIKeyMYZWOCQNILXNER-LSLKUGRBSA-N
XLogP3.19
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[cyclohexyl(ethoxy)methyl]-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104912102
3-[cyclohexyl(ethoxy)methyl]-5-piperidin-3-yl-1,2,4-oxadiazole
CID 116743600
3-(1-ethoxyethyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911843
3-[cyclohexyl(ethoxy)methyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 116743568
3-[cyclopropyl(ethoxy)methyl]-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 106743665
3-(1-methoxyethyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911942
4-[3-[cyclohexyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 116781472
3-ethyl-5-piperidin-3-yl-1,2,4-oxadiazole
CID 19886311
3-(2-ethoxyethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 106814721
1-[3-[cyclohexyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine
CID 116743615
2-amino-1-[3-[cyclohexyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]ethanol
CID 116743620
3-cyclopentyl-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 93357413

Frequently Asked Questions

What is the IUPAC name of 3-[cyclohexyl(ethoxy)methyl]-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-[cyclohexyl(ethoxy)methyl]-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole (CID 104912103) is 3-[cyclohexyl(ethoxy)methyl]-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[cyclohexyl(ethoxy)methyl]-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[cyclohexyl(ethoxy)methyl]-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole is CCOC(c1noc([C@H]2CCCNC2)n1)C1CCCCC1.
What is the InChIKey of 3-[cyclohexyl(ethoxy)methyl]-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is MYZWOCQNILXNER-LSLKUGRBSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-2-20-14(12-7-4-3-5-8-12)15-18-16(21-19-15)13-9-6-10-17-11-13/h12-14,17H,2-11H2,1H3/t13-,14?/m0/s1.
What are the key properties of 3-[cyclohexyl(ethoxy)methyl]-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole?
3-[cyclohexyl(ethoxy)methyl]-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 293.41 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohexyl(ethoxy)methyl]-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 104912103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).