3-(4-bromophenyl)-5-(4-methylphenyl)-1,2,4-oxadiazole

C15H11BrN2O — CID 752268

IUPAC3-(4-bromophenyl)-5-(4-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2nc(-c3ccc(Br)cc3)no2)cc1
InChIInChI=1S/C15H11BrN2O/c1-10-2-4-12(5-3-10)15-17-14(18-19-15)11-6-8-13(16)9-7-11/h2-9H,1H3
InChIKeyAGCMNVXEQKFLBR-UHFFFAOYSA-N
MW315.17 g/mol
LogP4.47
Rot. Bonds2

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

3-(4-bromophenyl)-5-(4-methylphenyl)-1,2,4-oxadiazole (PubChem CID 752268) has the molecular formula C15H11BrN2O and a molecular weight of 315.17 g/mol. Its IUPAC name is 3-(4-bromophenyl)-5-(4-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-bromophenyl)-5-(4-methylphenyl)-1,2,4-oxadiazole
PubChem CID752268
Molecular FormulaC15H11BrN2O
Molecular Weight315.17 g/mol
Exact Mass314.01
IUPAC Name3-(4-bromophenyl)-5-(4-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2nc(-c3ccc(Br)cc3)no2)cc1
InChIInChI=1S/C15H11BrN2O/c1-10-2-4-12(5-3-10)15-17-14(18-19-15)11-6-8-13(16)9-7-11/h2-9H,1H3
InChIKeyAGCMNVXEQKFLBR-UHFFFAOYSA-N
XLogP4.47
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 104698800
[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol
CID 59204295
5-(4-bromophenyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 1362600
3-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 19614165
3-(4-methylphenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
CID 75527949
5-(4-ethoxyphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 867105
2-bromo-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 104938026
5-(4-methylphenyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole
CID 702917
3-(4-bromophenyl)-5-(4-pentylphenyl)-1,2,4-oxadiazole
CID 2056306
N-[4-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanesulfonamide
CID 50823022
4-[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]morpholine
CID 50769427
5-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 931247

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-5-(4-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(4-bromophenyl)-5-(4-methylphenyl)-1,2,4-oxadiazole (CID 752268) is 3-(4-bromophenyl)-5-(4-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-bromophenyl)-5-(4-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-bromophenyl)-5-(4-methylphenyl)-1,2,4-oxadiazole is Cc1ccc(-c2nc(-c3ccc(Br)cc3)no2)cc1.
What is the InChIKey of 3-(4-bromophenyl)-5-(4-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is AGCMNVXEQKFLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O/c1-10-2-4-12(5-3-10)15-17-14(18-19-15)11-6-8-13(16)9-7-11/h2-9H,1H3.
What are the key properties of 3-(4-bromophenyl)-5-(4-methylphenyl)-1,2,4-oxadiazole?
3-(4-bromophenyl)-5-(4-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 315.17 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-5-(4-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 752268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).