5-ethyl-3-[[5-(3-fluoro-5-methylphenyl)-4-phenylimidazol-1-yl]methyl]-1,2,4-oxadiazole

C21H19FN4O — CID 50952580

IUPAC5-ethyl-3-[[5-(3-fluoro-5-methylphenyl)-4-phenylimidazol-1-yl]methyl]-1,2,4-oxadiazole
SMILESCCc1nc(Cn2cnc(-c3ccccc3)c2-c2cc(C)cc(F)c2)no1
InChIInChI=1S/C21H19FN4O/c1-3-19-24-18(25-27-19)12-26-13-23-20(15-7-5-4-6-8-15)21(26)16-9-14(2)10-17(22)11-16/h4-11,13H,3,12H2,1-2H3
InChIKeyNSXRYUVNYZDFDZ-UHFFFAOYSA-N
MW362.41 g/mol
LogP4.66
Rot. Bonds5

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

5-ethyl-3-[[5-(3-fluoro-5-methylphenyl)-4-phenylimidazol-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 50952580) has the molecular formula C21H19FN4O and a molecular weight of 362.41 g/mol. Its IUPAC name is 5-ethyl-3-[[5-(3-fluoro-5-methylphenyl)-4-phenylimidazol-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-ethyl-3-[[5-(3-fluoro-5-methylphenyl)-4-phenylimidazol-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID50952580
Molecular FormulaC21H19FN4O
Molecular Weight362.41 g/mol
Exact Mass362.15
IUPAC Name5-ethyl-3-[[5-(3-fluoro-5-methylphenyl)-4-phenylimidazol-1-yl]methyl]-1,2,4-oxadiazole
SMILESCCc1nc(Cn2cnc(-c3ccccc3)c2-c2cc(C)cc(F)c2)no1
InChIInChI=1S/C21H19FN4O/c1-3-19-24-18(25-27-19)12-26-13-23-20(15-7-5-4-6-8-15)21(26)16-9-14(2)10-17(22)11-16/h4-11,13H,3,12H2,1-2H3
InChIKeyNSXRYUVNYZDFDZ-UHFFFAOYSA-N
XLogP4.66
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-[[5-(3-fluoro-5-methylphenyl)-4-phenylimidazol-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-ethyl-3-[[5-(3-fluoro-5-methylphenyl)-4-phenylimidazol-1-yl]methyl]-1,2,4-oxadiazole (CID 50952580) is 5-ethyl-3-[[5-(3-fluoro-5-methylphenyl)-4-phenylimidazol-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-ethyl-3-[[5-(3-fluoro-5-methylphenyl)-4-phenylimidazol-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-ethyl-3-[[5-(3-fluoro-5-methylphenyl)-4-phenylimidazol-1-yl]methyl]-1,2,4-oxadiazole is CCc1nc(Cn2cnc(-c3ccccc3)c2-c2cc(C)cc(F)c2)no1.
What is the InChIKey of 5-ethyl-3-[[5-(3-fluoro-5-methylphenyl)-4-phenylimidazol-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is NSXRYUVNYZDFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O/c1-3-19-24-18(25-27-19)12-26-13-23-20(15-7-5-4-6-8-15)21(26)16-9-14(2)10-17(22)11-16/h4-11,13H,3,12H2,1-2H3.
What are the key properties of 5-ethyl-3-[[5-(3-fluoro-5-methylphenyl)-4-phenylimidazol-1-yl]methyl]-1,2,4-oxadiazole?
5-ethyl-3-[[5-(3-fluoro-5-methylphenyl)-4-phenylimidazol-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 362.41 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-[[5-(3-fluoro-5-methylphenyl)-4-phenylimidazol-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 50952580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).