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

C15H8BrF3N2O — CID 1362600

IUPAC5-(4-bromophenyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1ccc(-c2noc(-c3ccc(Br)cc3)n2)cc1
InChIInChI=1S/C15H8BrF3N2O/c16-12-7-3-10(4-8-12)14-20-13(21-22-14)9-1-5-11(6-2-9)15(17,18)19/h1-8H
InChIKeySKPMGVIWAPNVBW-UHFFFAOYSA-N
MW369.14 g/mol
LogP5.18
Rot. Bonds2

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

5-(4-bromophenyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (PubChem CID 1362600) has the molecular formula C15H8BrF3N2O and a molecular weight of 369.14 g/mol. Its IUPAC name is 5-(4-bromophenyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-bromophenyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
PubChem CID1362600
Molecular FormulaC15H8BrF3N2O
Molecular Weight369.14 g/mol
Exact Mass367.98
IUPAC Name5-(4-bromophenyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1ccc(-c2noc(-c3ccc(Br)cc3)n2)cc1
InChIInChI=1S/C15H8BrF3N2O/c16-12-7-3-10(4-8-12)14-20-13(21-22-14)9-1-5-11(6-2-9)15(17,18)19/h1-8H
InChIKeySKPMGVIWAPNVBW-UHFFFAOYSA-N
XLogP5.18
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.14
LogP ≤ 55.18
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
4-[5-(4-Fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 24747214
5-(4-Methylphenyl)-3-phenyl-1,2,4-oxadiazole
CID 577305
3-Cyclohexyl-5-phenyl-1,2,4-oxadiazole
CID 876263
4-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoic acid
CID 10491405
5-(2-Bromophenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 867101
5-(4-Bromophenyl)-3-phenyl-1,2,4-oxadiazole
CID 877112
5-(2-Fluorophenyl)-3-phenyl-1,2,4-oxadiazole
CID 2876651
3-Benzyl-5-phenyl-1,2,4-oxadiazole
CID 4215501
4-[5-[3-(Trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]benzoic acid
CID 24747338
4-[5-(2-Fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 24747341

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(4-bromophenyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (CID 1362600) is 5-(4-bromophenyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-bromophenyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-bromophenyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is FC(F)(F)c1ccc(-c2noc(-c3ccc(Br)cc3)n2)cc1.
What is the InChIKey of 5-(4-bromophenyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The InChIKey is SKPMGVIWAPNVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrF3N2O/c16-12-7-3-10(4-8-12)14-20-13(21-22-14)9-1-5-11(6-2-9)15(17,18)19/h1-8H.
What are the key properties of 5-(4-bromophenyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
5-(4-bromophenyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole has a molecular weight of 369.14 g/mol, XLogP of 5.18, 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-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 1362600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).