3-cyclohexyl-5-[(2-ethylimidazol-1-yl)methyl]-1,2,4-oxadiazole

C14H20N4O — CID 53164468

IUPAC3-cyclohexyl-5-[(2-ethylimidazol-1-yl)methyl]-1,2,4-oxadiazole
SMILESCCc1nccn1Cc1nc(C2CCCCC2)no1
InChIInChI=1S/C14H20N4O/c1-2-12-15-8-9-18(12)10-13-16-14(17-19-13)11-6-4-3-5-7-11/h8-9,11H,2-7,10H2,1H3
InChIKeyAHFPSEHQPCWNIS-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.92
Rot. Bonds4

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

3-cyclohexyl-5-[(2-ethylimidazol-1-yl)methyl]-1,2,4-oxadiazole (PubChem CID 53164468) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-cyclohexyl-5-[(2-ethylimidazol-1-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclohexyl-5-[(2-ethylimidazol-1-yl)methyl]-1,2,4-oxadiazole
PubChem CID53164468
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name3-cyclohexyl-5-[(2-ethylimidazol-1-yl)methyl]-1,2,4-oxadiazole
SMILESCCc1nccn1Cc1nc(C2CCCCC2)no1
InChIInChI=1S/C14H20N4O/c1-2-12-15-8-9-18(12)10-13-16-14(17-19-13)11-6-4-3-5-7-11/h8-9,11H,2-7,10H2,1H3
InChIKeyAHFPSEHQPCWNIS-UHFFFAOYSA-N
XLogP2.92
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-5-[(2-ethylimidazol-1-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclohexyl-5-[(2-ethylimidazol-1-yl)methyl]-1,2,4-oxadiazole (CID 53164468) is 3-cyclohexyl-5-[(2-ethylimidazol-1-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclohexyl-5-[(2-ethylimidazol-1-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclohexyl-5-[(2-ethylimidazol-1-yl)methyl]-1,2,4-oxadiazole is CCc1nccn1Cc1nc(C2CCCCC2)no1.
What is the InChIKey of 3-cyclohexyl-5-[(2-ethylimidazol-1-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is AHFPSEHQPCWNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-2-12-15-8-9-18(12)10-13-16-14(17-19-13)11-6-4-3-5-7-11/h8-9,11H,2-7,10H2,1H3.
What are the key properties of 3-cyclohexyl-5-[(2-ethylimidazol-1-yl)methyl]-1,2,4-oxadiazole?
3-cyclohexyl-5-[(2-ethylimidazol-1-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 260.34 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5-[(2-ethylimidazol-1-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 53164468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).