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

C14H9BrN2O — CID 877112

IUPAC5-(4-bromophenyl)-3-phenyl-1,2,4-oxadiazole
SMILESBrc1ccc(-c2nc(-c3ccccc3)no2)cc1
InChIInChI=1S/C14H9BrN2O/c15-12-8-6-11(7-9-12)14-16-13(17-18-14)10-4-2-1-3-5-10/h1-9H
InChIKeyCMYVEXGSBPBJHS-UHFFFAOYSA-N
MW301.14 g/mol
LogP4.17
Rot. Bonds2

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

5-(4-bromophenyl)-3-phenyl-1,2,4-oxadiazole (PubChem CID 877112) has the molecular formula C14H9BrN2O and a molecular weight of 301.14 g/mol. Its IUPAC name is 5-(4-bromophenyl)-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-bromophenyl)-3-phenyl-1,2,4-oxadiazole
PubChem CID877112
Molecular FormulaC14H9BrN2O
Molecular Weight301.14 g/mol
Exact Mass299.99
IUPAC Name5-(4-bromophenyl)-3-phenyl-1,2,4-oxadiazole
SMILESBrc1ccc(-c2nc(-c3ccccc3)no2)cc1
InChIInChI=1S/C14H9BrN2O/c15-12-8-6-11(7-9-12)14-16-13(17-18-14)10-4-2-1-3-5-10/h1-9H
InChIKeyCMYVEXGSBPBJHS-UHFFFAOYSA-N
XLogP4.17
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-Diphenyl-1,2,4-oxadiazole
CID 136695
3-Methyl-5-phenyl-1,2,4-oxadiazole
CID 136937
5-(4-Methylphenyl)-3-phenyl-1,2,4-oxadiazole
CID 577305
3-Cyclohexyl-5-phenyl-1,2,4-oxadiazole
CID 876263
3-(Chloromethyl)-5-phenyl-1,2,4-oxadiazole
CID 302154
5-Phenyl-1,2,4-oxadiazol-3-amine
CID 2305446
2-(3-Phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 666146
5-(2-Fluorophenyl)-3-phenyl-1,2,4-oxadiazole
CID 2876651
3-Benzyl-5-phenyl-1,2,4-oxadiazole
CID 4215501
3-[5-(2-Fluorophenyl)-[1,2,4]oxadiazol-3-yl]benzamide
CID 44142326
N-hydroxy-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 135358206
(5-Phenyl-1,2,4-oxadiazol-3-yl)methanamine
CID 6484154

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-(4-bromophenyl)-3-phenyl-1,2,4-oxadiazole (CID 877112) is 5-(4-bromophenyl)-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-bromophenyl)-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-bromophenyl)-3-phenyl-1,2,4-oxadiazole is Brc1ccc(-c2nc(-c3ccccc3)no2)cc1.
What is the InChIKey of 5-(4-bromophenyl)-3-phenyl-1,2,4-oxadiazole?
The InChIKey is CMYVEXGSBPBJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN2O/c15-12-8-6-11(7-9-12)14-16-13(17-18-14)10-4-2-1-3-5-10/h1-9H.
What are the key properties of 5-(4-bromophenyl)-3-phenyl-1,2,4-oxadiazole?
5-(4-bromophenyl)-3-phenyl-1,2,4-oxadiazole has a molecular weight of 301.14 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 877112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).