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

C9H12N4O — CID 53014747

IUPAC3-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazole
SMILESCCc1noc(Cn2ccnc2C)n1
InChIInChI=1S/C9H12N4O/c1-3-8-11-9(14-12-8)6-13-5-4-10-7(13)2/h4-5H,3,6H2,1-2H3
InChIKeyZULSKHDIANYINW-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.19
Rot. Bonds3

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

3-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazole (PubChem CID 53014747) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 3-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazole
PubChem CID53014747
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name3-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazole
SMILESCCc1noc(Cn2ccnc2C)n1
InChIInChI=1S/C9H12N4O/c1-3-8-11-9(14-12-8)6-13-5-4-10-7(13)2/h4-5H,3,6H2,1-2H3
InChIKeyZULSKHDIANYINW-UHFFFAOYSA-N
XLogP1.19
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazole (CID 53014747) is 3-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazole is CCc1noc(Cn2ccnc2C)n1.
What is the InChIKey of 3-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is ZULSKHDIANYINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-3-8-11-9(14-12-8)6-13-5-4-10-7(13)2/h4-5H,3,6H2,1-2H3.
What are the key properties of 3-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazole?
3-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 192.22 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 53014747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).