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

C12H16N4O — CID 53193144

IUPAC5-cyclobutyl-3-[(2-ethylimidazol-1-yl)methyl]-1,2,4-oxadiazole
SMILESCCc1nccn1Cc1noc(C2CCC2)n1
InChIInChI=1S/C12H16N4O/c1-2-11-13-6-7-16(11)8-10-14-12(17-15-10)9-4-3-5-9/h6-7,9H,2-5,8H2,1H3
InChIKeyVRWNQAVZUCRXLY-UHFFFAOYSA-N
MW232.29 g/mol
LogP2.14
Rot. Bonds4

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

5-cyclobutyl-3-[(2-ethylimidazol-1-yl)methyl]-1,2,4-oxadiazole (PubChem CID 53193144) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 5-cyclobutyl-3-[(2-ethylimidazol-1-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclobutyl-3-[(2-ethylimidazol-1-yl)methyl]-1,2,4-oxadiazole
PubChem CID53193144
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name5-cyclobutyl-3-[(2-ethylimidazol-1-yl)methyl]-1,2,4-oxadiazole
SMILESCCc1nccn1Cc1noc(C2CCC2)n1
InChIInChI=1S/C12H16N4O/c1-2-11-13-6-7-16(11)8-10-14-12(17-15-10)9-4-3-5-9/h6-7,9H,2-5,8H2,1H3
InChIKeyVRWNQAVZUCRXLY-UHFFFAOYSA-N
XLogP2.14
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 52.14
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-ethylimidazol-1-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-cyclobutyl-3-[(2-ethylimidazol-1-yl)methyl]-1,2,4-oxadiazole (CID 53193144) is 5-cyclobutyl-3-[(2-ethylimidazol-1-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclobutyl-3-[(2-ethylimidazol-1-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclobutyl-3-[(2-ethylimidazol-1-yl)methyl]-1,2,4-oxadiazole is CCc1nccn1Cc1noc(C2CCC2)n1.
What is the InChIKey of 5-cyclobutyl-3-[(2-ethylimidazol-1-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is VRWNQAVZUCRXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-2-11-13-6-7-16(11)8-10-14-12(17-15-10)9-4-3-5-9/h6-7,9H,2-5,8H2,1H3.
What are the key properties of 5-cyclobutyl-3-[(2-ethylimidazol-1-yl)methyl]-1,2,4-oxadiazole?
5-cyclobutyl-3-[(2-ethylimidazol-1-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 232.29 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-3-[(2-ethylimidazol-1-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 53193144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).