5-[1-(2-bromophenyl)-2,5-dimethylimidazol-4-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole

C22H21BrN4O4 — CID 118256420

IUPAC5-[1-(2-bromophenyl)-2,5-dimethylimidazol-4-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1cc(-c2noc(-c3nc(C)n(-c4ccccc4Br)c3C)n2)cc(OC)c1OC
InChIInChI=1S/C22H21BrN4O4/c1-12-19(24-13(2)27(12)16-9-7-6-8-15(16)23)22-25-21(26-31-22)14-10-17(28-3)20(30-5)18(11-14)29-4/h6-11H,1-5H3
InChIKeyHUCVHROBGIZVRJ-UHFFFAOYSA-N
MW485.34 g/mol
LogP4.99
Rot. Bonds6

About 5-[1-(2-bromophenyl)-2,5-dimethylimidazol-4-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole

5-[1-(2-bromophenyl)-2,5-dimethylimidazol-4-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole (PubChem CID 118256420) has the molecular formula C22H21BrN4O4 and a molecular weight of 485.34 g/mol. Its IUPAC name is 5-[1-(2-bromophenyl)-2,5-dimethylimidazol-4-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(2-bromophenyl)-2,5-dimethylimidazol-4-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
PubChem CID118256420
Molecular FormulaC22H21BrN4O4
Molecular Weight485.34 g/mol
Exact Mass484.07
IUPAC Name5-[1-(2-bromophenyl)-2,5-dimethylimidazol-4-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1cc(-c2noc(-c3nc(C)n(-c4ccccc4Br)c3C)n2)cc(OC)c1OC
InChIInChI=1S/C22H21BrN4O4/c1-12-19(24-13(2)27(12)16-9-7-6-8-15(16)23)22-25-21(26-31-22)14-10-17(28-3)20(30-5)18(11-14)29-4/h6-11H,1-5H3
InChIKeyHUCVHROBGIZVRJ-UHFFFAOYSA-N
XLogP4.99
TPSA84.43 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.34
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

5-phenyl-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 4544688
5-(4-bromo-1,2-thiazol-3-yl)-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 167840991
5-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 16804761
1-(2-chlorophenyl)-2,5-dimethyl-4-[3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]imidazole
CID 141454566
methyl 4-[5-[1-(2-chlorophenyl)-2,5-dimethylimidazol-4-yl]-1,2,4-oxadiazol-3-yl]-2-methylbenzoate
CID 118256393
5-[1-(2-chlorophenyl)-2,5-dimethylimidazol-4-yl]-3-(2-fluoro-4-methoxyphenyl)-1,2,4-oxadiazole
CID 118256452
5-[1-(3-ethylphenyl)-5-methyltriazol-4-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 20938065
3-(3-methoxy-5-methyl-4-propan-2-yloxyphenyl)-5-phenyl-1,2,4-oxadiazole
CID 71094125
pyrrolidin-1-yl-[2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]methanone
CID 5133126
3-chloro-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 112572038
3-(3,4-dimethoxyphenyl)-5-(4-phenylphenyl)-1,2,4-oxadiazole
CID 8895210
4-[5-[1-(2,6-dimethylphenyl)-2,5-dimethylimidazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methoxybenzoic acid
CID 118256405

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-bromophenyl)-2,5-dimethylimidazol-4-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(2-bromophenyl)-2,5-dimethylimidazol-4-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole (CID 118256420) is 5-[1-(2-bromophenyl)-2,5-dimethylimidazol-4-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(2-bromophenyl)-2,5-dimethylimidazol-4-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(2-bromophenyl)-2,5-dimethylimidazol-4-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole is COc1cc(-c2noc(-c3nc(C)n(-c4ccccc4Br)c3C)n2)cc(OC)c1OC.
What is the InChIKey of 5-[1-(2-bromophenyl)-2,5-dimethylimidazol-4-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is HUCVHROBGIZVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrN4O4/c1-12-19(24-13(2)27(12)16-9-7-6-8-15(16)23)22-25-21(26-31-22)14-10-17(28-3)20(30-5)18(11-14)29-4/h6-11H,1-5H3.
What are the key properties of 5-[1-(2-bromophenyl)-2,5-dimethylimidazol-4-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole?
5-[1-(2-bromophenyl)-2,5-dimethylimidazol-4-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 485.34 g/mol, XLogP of 4.99, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-bromophenyl)-2,5-dimethylimidazol-4-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 118256420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).