5-(4-bromophenyl)-3-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazole

C15H9BrClFN2O — CID 1352324

IUPAC5-(4-bromophenyl)-3-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazole
SMILESFc1cccc(Cl)c1Cc1noc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C15H9BrClFN2O/c16-10-6-4-9(5-7-10)15-19-14(20-21-15)8-11-12(17)2-1-3-13(11)18/h1-7H,8H2
InChIKeyZRMXXICWFFBVAM-UHFFFAOYSA-N
MW367.61 g/mol
LogP4.88
Rot. Bonds3

About 5-(4-bromophenyl)-3-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazole

5-(4-bromophenyl)-3-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazole (PubChem CID 1352324) has the molecular formula C15H9BrClFN2O and a molecular weight of 367.61 g/mol. Its IUPAC name is 5-(4-bromophenyl)-3-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-bromophenyl)-3-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazole
PubChem CID1352324
Molecular FormulaC15H9BrClFN2O
Molecular Weight367.61 g/mol
Exact Mass365.96
IUPAC Name5-(4-bromophenyl)-3-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazole
SMILESFc1cccc(Cl)c1Cc1noc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C15H9BrClFN2O/c16-10-6-4-9(5-7-10)15-19-14(20-21-15)8-11-12(17)2-1-3-13(11)18/h1-7H,8H2
InChIKeyZRMXXICWFFBVAM-UHFFFAOYSA-N
XLogP4.88
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.61
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-Bromophenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 867101
5-(2-Chloro-4-methylphenyl)-3-phenyl-1,2,4-oxadiazole
CID 2056784
5-(4-Chlorophenyl)-3-cyclohexyl-1,2,4-oxadiazole
CID 741929
3-(4-Chlorophenyl)-5-(2,6-difluorophenyl)-1,2,4-oxadiazole
CID 2803952
5-(4-Bromophenyl)-3-phenyl-1,2,4-oxadiazole
CID 877112
5-(2-Fluorophenyl)-3-phenyl-1,2,4-oxadiazole
CID 2876651
5-(4-Chlorophenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 745721
3-Benzyl-5-(4-chlorophenyl)-1,2,4-oxadiazole
CID 747211
5-(4-Chlorophenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 803886
3-(2-Chlorobenzyl)-5-(4-chlorophenyl)-1,2,4-oxadiazole
CID 874773
3-(4-Chlorophenyl)-5-(2-fluorophenyl)-1,2,4-oxadiazole
CID 892356
4-[5-(3-Chlorophenyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 44142415

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-3-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(4-bromophenyl)-3-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazole (CID 1352324) is 5-(4-bromophenyl)-3-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-bromophenyl)-3-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-bromophenyl)-3-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazole is Fc1cccc(Cl)c1Cc1noc(-c2ccc(Br)cc2)n1.
What is the InChIKey of 5-(4-bromophenyl)-3-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazole?
The InChIKey is ZRMXXICWFFBVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrClFN2O/c16-10-6-4-9(5-7-10)15-19-14(20-21-15)8-11-12(17)2-1-3-13(11)18/h1-7H,8H2.
What are the key properties of 5-(4-bromophenyl)-3-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazole?
5-(4-bromophenyl)-3-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazole has a molecular weight of 367.61 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-3-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 1352324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).