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

C11H14N4O — CID 53015266

IUPAC5-cyclobutyl-3-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazole
SMILESCc1nccn1Cc1noc(C2CCC2)n1
InChIInChI=1S/C11H14N4O/c1-8-12-5-6-15(8)7-10-13-11(16-14-10)9-3-2-4-9/h5-6,9H,2-4,7H2,1H3
InChIKeyVHZQYLZUBOZDBL-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.89
Rot. Bonds3

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

5-cyclobutyl-3-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazole (PubChem CID 53015266) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 5-cyclobutyl-3-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclobutyl-3-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazole
PubChem CID53015266
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name5-cyclobutyl-3-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazole
SMILESCc1nccn1Cc1noc(C2CCC2)n1
InChIInChI=1S/C11H14N4O/c1-8-12-5-6-15(8)7-10-13-11(16-14-10)9-3-2-4-9/h5-6,9H,2-4,7H2,1H3
InChIKeyVHZQYLZUBOZDBL-UHFFFAOYSA-N
XLogP1.89
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-3-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-cyclobutyl-3-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazole (CID 53015266) is 5-cyclobutyl-3-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclobutyl-3-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclobutyl-3-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazole is Cc1nccn1Cc1noc(C2CCC2)n1.
What is the InChIKey of 5-cyclobutyl-3-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is VHZQYLZUBOZDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-8-12-5-6-15(8)7-10-13-11(16-14-10)9-3-2-4-9/h5-6,9H,2-4,7H2,1H3.
What are the key properties of 5-cyclobutyl-3-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazole?
5-cyclobutyl-3-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 218.26 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-3-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 53015266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).