5-[1-(2-chlorophenyl)-2,5-dimethylimidazol-4-yl]-3-(2-fluoro-4-methoxyphenyl)-1,2,4-oxadiazole

C20H16ClFN4O2 — CID 118256452

IUPAC5-[1-(2-chlorophenyl)-2,5-dimethylimidazol-4-yl]-3-(2-fluoro-4-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(-c3nc(C)n(-c4ccccc4Cl)c3C)n2)c(F)c1
InChIInChI=1S/C20H16ClFN4O2/c1-11-18(23-12(2)26(11)17-7-5-4-6-15(17)21)20-24-19(25-28-20)14-9-8-13(27-3)10-16(14)22/h4-10H,1-3H3
InChIKeyQPVWLHUQCOTJDT-UHFFFAOYSA-N
MW398.83 g/mol
LogP5.01
Rot. Bonds4

About 5-[1-(2-chlorophenyl)-2,5-dimethylimidazol-4-yl]-3-(2-fluoro-4-methoxyphenyl)-1,2,4-oxadiazole

5-[1-(2-chlorophenyl)-2,5-dimethylimidazol-4-yl]-3-(2-fluoro-4-methoxyphenyl)-1,2,4-oxadiazole (PubChem CID 118256452) has the molecular formula C20H16ClFN4O2 and a molecular weight of 398.83 g/mol. Its IUPAC name is 5-[1-(2-chlorophenyl)-2,5-dimethylimidazol-4-yl]-3-(2-fluoro-4-methoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(2-chlorophenyl)-2,5-dimethylimidazol-4-yl]-3-(2-fluoro-4-methoxyphenyl)-1,2,4-oxadiazole
PubChem CID118256452
Molecular FormulaC20H16ClFN4O2
Molecular Weight398.83 g/mol
Exact Mass398.09
IUPAC Name5-[1-(2-chlorophenyl)-2,5-dimethylimidazol-4-yl]-3-(2-fluoro-4-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(-c3nc(C)n(-c4ccccc4Cl)c3C)n2)c(F)c1
InChIInChI=1S/C20H16ClFN4O2/c1-11-18(23-12(2)26(11)17-7-5-4-6-15(17)21)20-24-19(25-28-20)14-9-8-13(27-3)10-16(14)22/h4-10H,1-3H3
InChIKeyQPVWLHUQCOTJDT-UHFFFAOYSA-N
XLogP5.01
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.83
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-chlorophenyl)-2,5-dimethylimidazol-4-yl]-3-(2-fluoro-4-methoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(2-chlorophenyl)-2,5-dimethylimidazol-4-yl]-3-(2-fluoro-4-methoxyphenyl)-1,2,4-oxadiazole (CID 118256452) is 5-[1-(2-chlorophenyl)-2,5-dimethylimidazol-4-yl]-3-(2-fluoro-4-methoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(2-chlorophenyl)-2,5-dimethylimidazol-4-yl]-3-(2-fluoro-4-methoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(2-chlorophenyl)-2,5-dimethylimidazol-4-yl]-3-(2-fluoro-4-methoxyphenyl)-1,2,4-oxadiazole is COc1ccc(-c2noc(-c3nc(C)n(-c4ccccc4Cl)c3C)n2)c(F)c1.
What is the InChIKey of 5-[1-(2-chlorophenyl)-2,5-dimethylimidazol-4-yl]-3-(2-fluoro-4-methoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is QPVWLHUQCOTJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN4O2/c1-11-18(23-12(2)26(11)17-7-5-4-6-15(17)21)20-24-19(25-28-20)14-9-8-13(27-3)10-16(14)22/h4-10H,1-3H3.
What are the key properties of 5-[1-(2-chlorophenyl)-2,5-dimethylimidazol-4-yl]-3-(2-fluoro-4-methoxyphenyl)-1,2,4-oxadiazole?
5-[1-(2-chlorophenyl)-2,5-dimethylimidazol-4-yl]-3-(2-fluoro-4-methoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 398.83 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-chlorophenyl)-2,5-dimethylimidazol-4-yl]-3-(2-fluoro-4-methoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 118256452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).