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

C13H18N4O — CID 53014740

IUPAC3-cyclohexyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazole
SMILESCc1nccn1Cc1nc(C2CCCCC2)no1
InChIInChI=1S/C13H18N4O/c1-10-14-7-8-17(10)9-12-15-13(16-18-12)11-5-3-2-4-6-11/h7-8,11H,2-6,9H2,1H3
InChIKeyOWWFCSIHWLLEAR-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.67
Rot. Bonds3

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

3-cyclohexyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazole (PubChem CID 53014740) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-cyclohexyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclohexyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazole
PubChem CID53014740
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name3-cyclohexyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazole
SMILESCc1nccn1Cc1nc(C2CCCCC2)no1
InChIInChI=1S/C13H18N4O/c1-10-14-7-8-17(10)9-12-15-13(16-18-12)11-5-3-2-4-6-11/h7-8,11H,2-6,9H2,1H3
InChIKeyOWWFCSIHWLLEAR-UHFFFAOYSA-N
XLogP2.67
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.67
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-methylimidazol-1-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclohexyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazole (CID 53014740) is 3-cyclohexyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclohexyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclohexyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazole is Cc1nccn1Cc1nc(C2CCCCC2)no1.
What is the InChIKey of 3-cyclohexyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is OWWFCSIHWLLEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-10-14-7-8-17(10)9-12-15-13(16-18-12)11-5-3-2-4-6-11/h7-8,11H,2-6,9H2,1H3.
What are the key properties of 3-cyclohexyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazole?
3-cyclohexyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 246.31 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 53014740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).