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

C15H11BrN2O — CID 2987261

IUPAC5-benzyl-3-(3-bromophenyl)-1,2,4-oxadiazole
SMILESBrc1cccc(-c2noc(Cc3ccccc3)n2)c1
InChIInChI=1S/C15H11BrN2O/c16-13-8-4-7-12(10-13)15-17-14(19-18-15)9-11-5-2-1-3-6-11/h1-8,10H,9H2
InChIKeyAAJZSQXNWXQMSQ-UHFFFAOYSA-N
MW315.17 g/mol
LogP4.09
Rot. Bonds3

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

5-benzyl-3-(3-bromophenyl)-1,2,4-oxadiazole (PubChem CID 2987261) has the molecular formula C15H11BrN2O and a molecular weight of 315.17 g/mol. Its IUPAC name is 5-benzyl-3-(3-bromophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-benzyl-3-(3-bromophenyl)-1,2,4-oxadiazole
PubChem CID2987261
Molecular FormulaC15H11BrN2O
Molecular Weight315.17 g/mol
Exact Mass314.01
IUPAC Name5-benzyl-3-(3-bromophenyl)-1,2,4-oxadiazole
SMILESBrc1cccc(-c2noc(Cc3ccccc3)n2)c1
InChIInChI=1S/C15H11BrN2O/c16-13-8-4-7-12(10-13)15-17-14(19-18-15)9-11-5-2-1-3-6-11/h1-8,10H,9H2
InChIKeyAAJZSQXNWXQMSQ-UHFFFAOYSA-N
XLogP4.09
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-Diphenyl-1,2,4-oxadiazole
CID 136695
5-(2-Bromophenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 867101
5-Cyclohexyl-3-(p-tolyl)-1,2,4-oxadiazole
CID 867104
5-(4-Bromophenyl)-3-phenyl-1,2,4-oxadiazole
CID 877112
3-Benzyl-5-phenyl-1,2,4-oxadiazole
CID 4215501
3-(4-Methylphenyl)-5-(3-phenylpropyl)-1,2,4-oxadiazole
CID 885527
3-(2-Bromophenyl)-5-(3,4-difluorophenyl)-1,2,4-oxadiazole
CID 145981471
5-(2-Cyclopentylethyl)-3-phenyl-1,2,4-oxadiazole
CID 1977469
5-(2-Bromophenyl)-3-phenyl-1,2,4-oxadiazole
CID 933633
3-(3-Bromophenyl)-5-methyl-1,2,4-oxadiazole
CID 8895139
3-(4-Bromophenyl)-5-cyclohexyl-1,2,4-oxadiazole
CID 867106
3-Phenyl-5-(2-phenylethyl)-1,2,4-oxadiazole
CID 891591

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-(3-bromophenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-benzyl-3-(3-bromophenyl)-1,2,4-oxadiazole (CID 2987261) is 5-benzyl-3-(3-bromophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-benzyl-3-(3-bromophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-benzyl-3-(3-bromophenyl)-1,2,4-oxadiazole is Brc1cccc(-c2noc(Cc3ccccc3)n2)c1.
What is the InChIKey of 5-benzyl-3-(3-bromophenyl)-1,2,4-oxadiazole?
The InChIKey is AAJZSQXNWXQMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O/c16-13-8-4-7-12(10-13)15-17-14(19-18-15)9-11-5-2-1-3-6-11/h1-8,10H,9H2.
What are the key properties of 5-benzyl-3-(3-bromophenyl)-1,2,4-oxadiazole?
5-benzyl-3-(3-bromophenyl)-1,2,4-oxadiazole has a molecular weight of 315.17 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-(3-bromophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 2987261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).