5-[(4-bromophenoxy)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole

C16H13BrN2O2 — CID 7894242

IUPAC5-[(4-bromophenoxy)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccccc1-c1noc(COc2ccc(Br)cc2)n1
InChIInChI=1S/C16H13BrN2O2/c1-11-4-2-3-5-14(11)16-18-15(21-19-16)10-20-13-8-6-12(17)7-9-13/h2-9H,10H2,1H3
InChIKeyPLIADSAFXHVIBO-UHFFFAOYSA-N
MW345.20 g/mol
LogP4.39
Rot. Bonds4

About 5-[(4-bromophenoxy)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole

5-[(4-bromophenoxy)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole (PubChem CID 7894242) has the molecular formula C16H13BrN2O2 and a molecular weight of 345.20 g/mol. Its IUPAC name is 5-[(4-bromophenoxy)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(4-bromophenoxy)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
PubChem CID7894242
Molecular FormulaC16H13BrN2O2
Molecular Weight345.20 g/mol
Exact Mass344.02
IUPAC Name5-[(4-bromophenoxy)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccccc1-c1noc(COc2ccc(Br)cc2)n1
InChIInChI=1S/C16H13BrN2O2/c1-11-4-2-3-5-14(11)16-18-15(21-19-16)10-20-13-8-6-12(17)7-9-13/h2-9H,10H2,1H3
InChIKeyPLIADSAFXHVIBO-UHFFFAOYSA-N
XLogP4.39
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-methoxyphenoxy)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 926660
5-[(4-chloro-3-methylphenoxy)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 7916308
5-[(4-bromo-2,5-dimethylphenoxy)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 17325291
3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline
CID 30029378
5-[(2,4-dichlorophenoxy)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 926658
[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-bromo-2-hydroxybenzoate
CID 8022063
5-[(4-bromo-3-methylphenoxy)methyl]-3-phenyl-1,2,4-oxadiazole
CID 583217
5-[(4-bromo-3,5-dimethylphenoxy)methyl]-3-phenyl-1,2,4-oxadiazole
CID 3549434
[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-nitrophenoxy)acetate
CID 7769907
3-(3-bromophenyl)-5-[(3,4-dimethylphenoxy)methyl]-1,2,4-oxadiazole
CID 8895415
5-(4-methoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 5152913
5-[(3,5-dimethoxyphenoxy)methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 9355953

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromophenoxy)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(4-bromophenoxy)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole (CID 7894242) is 5-[(4-bromophenoxy)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(4-bromophenoxy)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(4-bromophenoxy)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole is Cc1ccccc1-c1noc(COc2ccc(Br)cc2)n1.
What is the InChIKey of 5-[(4-bromophenoxy)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is PLIADSAFXHVIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O2/c1-11-4-2-3-5-14(11)16-18-15(21-19-16)10-20-13-8-6-12(17)7-9-13/h2-9H,10H2,1H3.
What are the key properties of 5-[(4-bromophenoxy)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole?
5-[(4-bromophenoxy)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 345.20 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromophenoxy)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 7894242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).