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

C11H16N4O — CID 53164482

IUPAC5-[(2-ethylimidazol-1-yl)methyl]-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc(Cn2ccnc2CC)n1
InChIInChI=1S/C11H16N4O/c1-3-5-9-13-11(16-14-9)8-15-7-6-12-10(15)4-2/h6-7H,3-5,8H2,1-2H3
InChIKeyLXOSDIMGXBHSDV-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.83
Rot. Bonds5

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

5-[(2-ethylimidazol-1-yl)methyl]-3-propyl-1,2,4-oxadiazole (PubChem CID 53164482) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 5-[(2-ethylimidazol-1-yl)methyl]-3-propyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2-ethylimidazol-1-yl)methyl]-3-propyl-1,2,4-oxadiazole
PubChem CID53164482
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name5-[(2-ethylimidazol-1-yl)methyl]-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc(Cn2ccnc2CC)n1
InChIInChI=1S/C11H16N4O/c1-3-5-9-13-11(16-14-9)8-15-7-6-12-10(15)4-2/h6-7H,3-5,8H2,1-2H3
InChIKeyLXOSDIMGXBHSDV-UHFFFAOYSA-N
XLogP1.83
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethylimidazol-1-yl)methyl]-3-propyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(2-ethylimidazol-1-yl)methyl]-3-propyl-1,2,4-oxadiazole (CID 53164482) is 5-[(2-ethylimidazol-1-yl)methyl]-3-propyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2-ethylimidazol-1-yl)methyl]-3-propyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2-ethylimidazol-1-yl)methyl]-3-propyl-1,2,4-oxadiazole is CCCc1noc(Cn2ccnc2CC)n1.
What is the InChIKey of 5-[(2-ethylimidazol-1-yl)methyl]-3-propyl-1,2,4-oxadiazole?
The InChIKey is LXOSDIMGXBHSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-3-5-9-13-11(16-14-9)8-15-7-6-12-10(15)4-2/h6-7H,3-5,8H2,1-2H3.
What are the key properties of 5-[(2-ethylimidazol-1-yl)methyl]-3-propyl-1,2,4-oxadiazole?
5-[(2-ethylimidazol-1-yl)methyl]-3-propyl-1,2,4-oxadiazole has a molecular weight of 220.28 g/mol, XLogP of 1.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethylimidazol-1-yl)methyl]-3-propyl-1,2,4-oxadiazole is sourced from PubChem (CID 53164482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).