5-(2-bromo-5-methoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole

C16H13BrN2O2 — CID 2742649

IUPAC5-(2-bromo-5-methoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(Br)c(-c2nc(-c3cccc(C)c3)no2)c1
InChIInChI=1S/C16H13BrN2O2/c1-10-4-3-5-11(8-10)15-18-16(21-19-15)13-9-12(20-2)6-7-14(13)17/h3-9H,1-2H3
InChIKeyMOWGBYKFPLGRIO-UHFFFAOYSA-N
MW345.20 g/mol
LogP4.48
Rot. Bonds3

About 5-(2-bromo-5-methoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole

5-(2-bromo-5-methoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole (PubChem CID 2742649) has the molecular formula C16H13BrN2O2 and a molecular weight of 345.20 g/mol. Its IUPAC name is 5-(2-bromo-5-methoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-bromo-5-methoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole
PubChem CID2742649
Molecular FormulaC16H13BrN2O2
Molecular Weight345.20 g/mol
Exact Mass344.02
IUPAC Name5-(2-bromo-5-methoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(Br)c(-c2nc(-c3cccc(C)c3)no2)c1
InChIInChI=1S/C16H13BrN2O2/c1-10-4-3-5-11(8-10)15-18-16(21-19-15)13-9-12(20-2)6-7-14(13)17/h3-9H,1-2H3
InChIKeyMOWGBYKFPLGRIO-UHFFFAOYSA-N
XLogP4.48
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-bromo-5-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 2742628
5-(2-methoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 2243275
5-(2-bromo-5-methoxyphenyl)-3-(chloromethyl)-1,2,4-oxadiazole
CID 28941934
3-(3-methylphenyl)-5-phenyl-1,2,4-oxadiazole
CID 2239223
5-(2-bromophenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 752271
5-(2-methoxypyrimidin-5-yl)-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 119103240
3-[(4-methoxyphenyl)methyl]-5-(3-methylphenyl)-1,2,4-oxadiazole
CID 4691489
4-bromo-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 62072815
3-(3-methylphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole
CID 2237693
2-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-4-methoxyaniline
CID 115411790
3-[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]-5-(3-methylphenyl)-1,2,4-oxadiazole
CID 42851492
3-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole
CID 75527889

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-5-methoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-bromo-5-methoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole (CID 2742649) is 5-(2-bromo-5-methoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-bromo-5-methoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-bromo-5-methoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole is COc1ccc(Br)c(-c2nc(-c3cccc(C)c3)no2)c1.
What is the InChIKey of 5-(2-bromo-5-methoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is MOWGBYKFPLGRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O2/c1-10-4-3-5-11(8-10)15-18-16(21-19-15)13-9-12(20-2)6-7-14(13)17/h3-9H,1-2H3.
What are the key properties of 5-(2-bromo-5-methoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole?
5-(2-bromo-5-methoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 345.20 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromo-5-methoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 2742649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).