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

C14H10BrN3O — CID 142165311

IUPAC5-(3-bromo-5-methylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESCc1cc(Br)cc(-c2nc(-c3ccccn3)no2)c1
InChIInChI=1S/C14H10BrN3O/c1-9-6-10(8-11(15)7-9)14-17-13(18-19-14)12-4-2-3-5-16-12/h2-8H,1H3
InChIKeyHUDHMFNTQSAPBE-UHFFFAOYSA-N
MW316.16 g/mol
LogP3.87
Rot. Bonds2

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

5-(3-bromo-5-methylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole (PubChem CID 142165311) has the molecular formula C14H10BrN3O and a molecular weight of 316.16 g/mol. Its IUPAC name is 5-(3-bromo-5-methylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-bromo-5-methylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
PubChem CID142165311
Molecular FormulaC14H10BrN3O
Molecular Weight316.16 g/mol
Exact Mass315.00
IUPAC Name5-(3-bromo-5-methylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESCc1cc(Br)cc(-c2nc(-c3ccccn3)no2)c1
InChIInChI=1S/C14H10BrN3O/c1-9-6-10(8-11(15)7-9)14-17-13(18-19-14)12-4-2-3-5-16-12/h2-8H,1H3
InChIKeyHUDHMFNTQSAPBE-UHFFFAOYSA-N
XLogP3.87
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.16
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-methyl-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]ethanone
CID 59047159
5-(4-phenylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 838877
5-(2-bromophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 750612
5-(3,5-dimethylphenyl)-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole
CID 11242644
5-(4-ethylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 5346667
N-methyl-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)aniline
CID 104698802
5-(2-ethyl-5-methylpyrazol-3-yl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 71689313
ethane;3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile
CID 91230916
4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile
CID 103655221
5-(6-chloro-3-pyridinyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 30028861
2-[3,5-bis(3,5-dipyridin-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(3,5-dibromophenyl)-4,6-diphenylpyrimidine;2-(3-methyl-5-pyridin-2-ylphenyl)pyridine
CID 159330805
3-pyridin-2-yl-5-(2,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 912385

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-5-methylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(3-bromo-5-methylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole (CID 142165311) is 5-(3-bromo-5-methylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-bromo-5-methylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-bromo-5-methylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole is Cc1cc(Br)cc(-c2nc(-c3ccccn3)no2)c1.
What is the InChIKey of 5-(3-bromo-5-methylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole?
The InChIKey is HUDHMFNTQSAPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O/c1-9-6-10(8-11(15)7-9)14-17-13(18-19-14)12-4-2-3-5-16-12/h2-8H,1H3.
What are the key properties of 5-(3-bromo-5-methylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole?
5-(3-bromo-5-methylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole has a molecular weight of 316.16 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-5-methylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 142165311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).