3-cyclohexyl-5-[2-(6-methoxy-2-pyridinyl)ethyl]-1,2,4-oxadiazole

C16H21N3O2 — CID 167808538

IUPAC3-cyclohexyl-5-[2-(6-methoxy-2-pyridinyl)ethyl]-1,2,4-oxadiazole
SMILESCOc1cccc(CCc2nc(C3CCCCC3)no2)n1
InChIInChI=1S/C16H21N3O2/c1-20-14-9-5-8-13(17-14)10-11-15-18-16(19-21-15)12-6-3-2-4-7-12/h5,8-9,12H,2-4,6-7,10-11H2,1H3
InChIKeyZOOBIWJUSNQLEX-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.31
Rot. Bonds5

About 3-cyclohexyl-5-[2-(6-methoxy-2-pyridinyl)ethyl]-1,2,4-oxadiazole

3-cyclohexyl-5-[2-(6-methoxy-2-pyridinyl)ethyl]-1,2,4-oxadiazole (PubChem CID 167808538) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-cyclohexyl-5-[2-(6-methoxy-2-pyridinyl)ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclohexyl-5-[2-(6-methoxy-2-pyridinyl)ethyl]-1,2,4-oxadiazole
PubChem CID167808538
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name3-cyclohexyl-5-[2-(6-methoxy-2-pyridinyl)ethyl]-1,2,4-oxadiazole
SMILESCOc1cccc(CCc2nc(C3CCCCC3)no2)n1
InChIInChI=1S/C16H21N3O2/c1-20-14-9-5-8-13(17-14)10-11-15-18-16(19-21-15)12-6-3-2-4-7-12/h5,8-9,12H,2-4,6-7,10-11H2,1H3
InChIKeyZOOBIWJUSNQLEX-UHFFFAOYSA-N
XLogP3.31
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-cyclohexyl-5-[2-(6-methoxy-2-pyridinyl)ethyl]-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-cyclopentyl-5-[2-(6-methoxy-2-pyridinyl)ethyl]-1,2,4-oxadiazole
CID 167939537
2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 65390303
(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methanamine
CID 65390292
N-[2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]aniline
CID 60837266
2-[2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-5-phenyl-1,3,4-oxadiazole
CID 122135295
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-1-ol
CID 79200552
5-(3-chloropropyl)-3-cyclohexyl-1,2,4-oxadiazole
CID 43513453
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 65391886
4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-2-methylbutan-2-amine
CID 65390099
(3-cyclooctyl-1,2,4-oxadiazol-5-yl)methanol
CID 80611110
2-[(6-methoxy-2-pyridinyl)methyl]cycloheptan-1-ol
CID 79423934
N-[3-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]phenyl]acetamide
CID 118788592

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-5-[2-(6-methoxy-2-pyridinyl)ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclohexyl-5-[2-(6-methoxy-2-pyridinyl)ethyl]-1,2,4-oxadiazole (CID 167808538) is 3-cyclohexyl-5-[2-(6-methoxy-2-pyridinyl)ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclohexyl-5-[2-(6-methoxy-2-pyridinyl)ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclohexyl-5-[2-(6-methoxy-2-pyridinyl)ethyl]-1,2,4-oxadiazole is COc1cccc(CCc2nc(C3CCCCC3)no2)n1.
What is the InChIKey of 3-cyclohexyl-5-[2-(6-methoxy-2-pyridinyl)ethyl]-1,2,4-oxadiazole?
The InChIKey is ZOOBIWJUSNQLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-20-14-9-5-8-13(17-14)10-11-15-18-16(19-21-15)12-6-3-2-4-7-12/h5,8-9,12H,2-4,6-7,10-11H2,1H3.
What are the key properties of 3-cyclohexyl-5-[2-(6-methoxy-2-pyridinyl)ethyl]-1,2,4-oxadiazole?
3-cyclohexyl-5-[2-(6-methoxy-2-pyridinyl)ethyl]-1,2,4-oxadiazole has a molecular weight of 287.36 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5-[2-(6-methoxy-2-pyridinyl)ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 167808538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).