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

C12H14N6O — CID 56874414

IUPAC5-ethyl-3-[[2-(1-methylimidazol-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole
SMILESCCc1nc(Cn2ccnc2-c2nccn2C)no1
InChIInChI=1S/C12H14N6O/c1-3-10-15-9(16-19-10)8-18-7-5-14-12(18)11-13-4-6-17(11)2/h4-7H,3,8H2,1-2H3
InChIKeyJAYJBRXZUPENAO-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.28
Rot. Bonds4

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

5-ethyl-3-[[2-(1-methylimidazol-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 56874414) has the molecular formula C12H14N6O and a molecular weight of 258.28 g/mol. Its IUPAC name is 5-ethyl-3-[[2-(1-methylimidazol-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-ethyl-3-[[2-(1-methylimidazol-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID56874414
Molecular FormulaC12H14N6O
Molecular Weight258.28 g/mol
Exact Mass258.12
IUPAC Name5-ethyl-3-[[2-(1-methylimidazol-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole
SMILESCCc1nc(Cn2ccnc2-c2nccn2C)no1
InChIInChI=1S/C12H14N6O/c1-3-10-15-9(16-19-10)8-18-7-5-14-12(18)11-13-4-6-17(11)2/h4-7H,3,8H2,1-2H3
InChIKeyJAYJBRXZUPENAO-UHFFFAOYSA-N
XLogP1.28
TPSA74.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-[[2-(1-methylimidazol-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-ethyl-3-[[2-(1-methylimidazol-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole (CID 56874414) is 5-ethyl-3-[[2-(1-methylimidazol-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-ethyl-3-[[2-(1-methylimidazol-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-ethyl-3-[[2-(1-methylimidazol-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole is CCc1nc(Cn2ccnc2-c2nccn2C)no1.
What is the InChIKey of 5-ethyl-3-[[2-(1-methylimidazol-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is JAYJBRXZUPENAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O/c1-3-10-15-9(16-19-10)8-18-7-5-14-12(18)11-13-4-6-17(11)2/h4-7H,3,8H2,1-2H3.
What are the key properties of 5-ethyl-3-[[2-(1-methylimidazol-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole?
5-ethyl-3-[[2-(1-methylimidazol-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 258.28 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-[[2-(1-methylimidazol-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 56874414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).