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

C15H10BrClN2O — CID 8895295

IUPAC3-(3-bromophenyl)-5-(3-chloro-4-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2nc(-c3cccc(Br)c3)no2)cc1Cl
InChIInChI=1S/C15H10BrClN2O/c1-9-5-6-11(8-13(9)17)15-18-14(19-20-15)10-3-2-4-12(16)7-10/h2-8H,1H3
InChIKeyXRFSLPWRUQKQKO-UHFFFAOYSA-N
MW349.62 g/mol
LogP5.13
Rot. Bonds2

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

3-(3-bromophenyl)-5-(3-chloro-4-methylphenyl)-1,2,4-oxadiazole (PubChem CID 8895295) has the molecular formula C15H10BrClN2O and a molecular weight of 349.62 g/mol. Its IUPAC name is 3-(3-bromophenyl)-5-(3-chloro-4-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-bromophenyl)-5-(3-chloro-4-methylphenyl)-1,2,4-oxadiazole
PubChem CID8895295
Molecular FormulaC15H10BrClN2O
Molecular Weight349.62 g/mol
Exact Mass347.97
IUPAC Name3-(3-bromophenyl)-5-(3-chloro-4-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2nc(-c3cccc(Br)c3)no2)cc1Cl
InChIInChI=1S/C15H10BrClN2O/c1-9-5-6-11(8-13(9)17)15-18-14(19-20-15)10-3-2-4-12(16)7-10/h2-8H,1H3
InChIKeyXRFSLPWRUQKQKO-UHFFFAOYSA-N
XLogP5.13
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.62
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 931247
4-[5-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 63195043
5-(3-chloro-4-methylphenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 705865
3-(3-bromophenyl)-5-(2,4-dichlorophenyl)-1,2,4-oxadiazole
CID 8895091
4-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 81494253
5-(3-bromophenyl)-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole
CID 19326705
5-(3-bromophenyl)-3-(2,6-difluorophenyl)-1,2,4-oxadiazole
CID 7354772
4-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-3-chloroaniline
CID 61399103
5-(3,4-dichlorophenyl)-3-phenyl-1,2,4-oxadiazole
CID 704271
5-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine
CID 43150811
5-(3-bromophenyl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 5191480
3-[5-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 103844013

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-5-(3-chloro-4-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3-bromophenyl)-5-(3-chloro-4-methylphenyl)-1,2,4-oxadiazole (CID 8895295) is 3-(3-bromophenyl)-5-(3-chloro-4-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-bromophenyl)-5-(3-chloro-4-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-bromophenyl)-5-(3-chloro-4-methylphenyl)-1,2,4-oxadiazole is Cc1ccc(-c2nc(-c3cccc(Br)c3)no2)cc1Cl.
What is the InChIKey of 3-(3-bromophenyl)-5-(3-chloro-4-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is XRFSLPWRUQKQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClN2O/c1-9-5-6-11(8-13(9)17)15-18-14(19-20-15)10-3-2-4-12(16)7-10/h2-8H,1H3.
What are the key properties of 3-(3-bromophenyl)-5-(3-chloro-4-methylphenyl)-1,2,4-oxadiazole?
3-(3-bromophenyl)-5-(3-chloro-4-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 349.62 g/mol, XLogP of 5.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-5-(3-chloro-4-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 8895295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).