5-(2,6-difluorophenyl)-3-[[2-(1,2-dimethylimidazol-4-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole

C17H14F2N6O — CID 155493383

IUPAC5-(2,6-difluorophenyl)-3-[[2-(1,2-dimethylimidazol-4-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole
SMILESCc1nc(-c2nccn2Cc2noc(-c3c(F)cccc3F)n2)cn1C
InChIInChI=1S/C17H14F2N6O/c1-10-21-13(8-24(10)2)16-20-6-7-25(16)9-14-22-17(26-23-14)15-11(18)4-3-5-12(15)19/h3-8H,9H2,1-2H3
InChIKeyDJVKNZJUYQRKKL-UHFFFAOYSA-N
MW356.34 g/mol
LogP2.97
Rot. Bonds4

About 5-(2,6-difluorophenyl)-3-[[2-(1,2-dimethylimidazol-4-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole

5-(2,6-difluorophenyl)-3-[[2-(1,2-dimethylimidazol-4-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 155493383) has the molecular formula C17H14F2N6O and a molecular weight of 356.34 g/mol. Its IUPAC name is 5-(2,6-difluorophenyl)-3-[[2-(1,2-dimethylimidazol-4-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,6-difluorophenyl)-3-[[2-(1,2-dimethylimidazol-4-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID155493383
Molecular FormulaC17H14F2N6O
Molecular Weight356.34 g/mol
Exact Mass356.12
IUPAC Name5-(2,6-difluorophenyl)-3-[[2-(1,2-dimethylimidazol-4-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole
SMILESCc1nc(-c2nccn2Cc2noc(-c3c(F)cccc3F)n2)cn1C
InChIInChI=1S/C17H14F2N6O/c1-10-21-13(8-24(10)2)16-20-6-7-25(16)9-14-22-17(26-23-14)15-11(18)4-3-5-12(15)19/h3-8H,9H2,1-2H3
InChIKeyDJVKNZJUYQRKKL-UHFFFAOYSA-N
XLogP2.97
TPSA74.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-difluorophenyl)-3-[[2-(1,2-dimethylimidazol-4-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(2,6-difluorophenyl)-3-[[2-(1,2-dimethylimidazol-4-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole (CID 155493383) is 5-(2,6-difluorophenyl)-3-[[2-(1,2-dimethylimidazol-4-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,6-difluorophenyl)-3-[[2-(1,2-dimethylimidazol-4-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,6-difluorophenyl)-3-[[2-(1,2-dimethylimidazol-4-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole is Cc1nc(-c2nccn2Cc2noc(-c3c(F)cccc3F)n2)cn1C.
What is the InChIKey of 5-(2,6-difluorophenyl)-3-[[2-(1,2-dimethylimidazol-4-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is DJVKNZJUYQRKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N6O/c1-10-21-13(8-24(10)2)16-20-6-7-25(16)9-14-22-17(26-23-14)15-11(18)4-3-5-12(15)19/h3-8H,9H2,1-2H3.
What are the key properties of 5-(2,6-difluorophenyl)-3-[[2-(1,2-dimethylimidazol-4-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole?
5-(2,6-difluorophenyl)-3-[[2-(1,2-dimethylimidazol-4-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 356.34 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-difluorophenyl)-3-[[2-(1,2-dimethylimidazol-4-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 155493383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).