5-(3-bromophenyl)-3-(2,6-difluorophenyl)-1,2,4-oxadiazole

C14H7BrF2N2O — CID 7354772

IUPAC5-(3-bromophenyl)-3-(2,6-difluorophenyl)-1,2,4-oxadiazole
SMILESFc1cccc(F)c1-c1noc(-c2cccc(Br)c2)n1
InChIInChI=1S/C14H7BrF2N2O/c15-9-4-1-3-8(7-9)14-18-13(19-20-14)12-10(16)5-2-6-11(12)17/h1-7H
InChIKeyQKMHAZPNGLJQEU-UHFFFAOYSA-N
MW337.12 g/mol
LogP4.44
Rot. Bonds2

About 5-(3-bromophenyl)-3-(2,6-difluorophenyl)-1,2,4-oxadiazole

5-(3-bromophenyl)-3-(2,6-difluorophenyl)-1,2,4-oxadiazole (PubChem CID 7354772) has the molecular formula C14H7BrF2N2O and a molecular weight of 337.12 g/mol. Its IUPAC name is 5-(3-bromophenyl)-3-(2,6-difluorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-bromophenyl)-3-(2,6-difluorophenyl)-1,2,4-oxadiazole
PubChem CID7354772
Molecular FormulaC14H7BrF2N2O
Molecular Weight337.12 g/mol
Exact Mass335.97
IUPAC Name5-(3-bromophenyl)-3-(2,6-difluorophenyl)-1,2,4-oxadiazole
SMILESFc1cccc(F)c1-c1noc(-c2cccc(Br)c2)n1
InChIInChI=1S/C14H7BrF2N2O/c15-9-4-1-3-8(7-9)14-18-13(19-20-14)12-10(16)5-2-6-11(12)17/h1-7H
InChIKeyQKMHAZPNGLJQEU-UHFFFAOYSA-N
XLogP4.44
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.12
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-bromophenyl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 5191480
4-[3-(2,6-difluorophenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 97057819
5-(3-bromophenyl)-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole
CID 19326705
3-(3-bromophenyl)-5-(furan-2-yl)-1,2,4-oxadiazole
CID 2989048
3-(3-bromophenyl)-5-(3-chloro-4-methylphenyl)-1,2,4-oxadiazole
CID 8895295
3-(2,6-difluorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 3620161
2-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-4-fluorophenol
CID 137011333
4-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine
CID 79392299
3-(3-bromophenyl)-5-(2,4-dichlorophenyl)-1,2,4-oxadiazole
CID 8895091
4-(3-bromophenyl)-3-(2-fluorophenyl)-1,2-oxazol-5-amine
CID 43560892
2-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline
CID 82788339
5-(3-bromophenyl)-3-(5-isocyano-2-pyridinyl)-1,2,4-oxadiazole
CID 21058053

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-3-(2,6-difluorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(3-bromophenyl)-3-(2,6-difluorophenyl)-1,2,4-oxadiazole (CID 7354772) is 5-(3-bromophenyl)-3-(2,6-difluorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-bromophenyl)-3-(2,6-difluorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-bromophenyl)-3-(2,6-difluorophenyl)-1,2,4-oxadiazole is Fc1cccc(F)c1-c1noc(-c2cccc(Br)c2)n1.
What is the InChIKey of 5-(3-bromophenyl)-3-(2,6-difluorophenyl)-1,2,4-oxadiazole?
The InChIKey is QKMHAZPNGLJQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrF2N2O/c15-9-4-1-3-8(7-9)14-18-13(19-20-14)12-10(16)5-2-6-11(12)17/h1-7H.
What are the key properties of 5-(3-bromophenyl)-3-(2,6-difluorophenyl)-1,2,4-oxadiazole?
5-(3-bromophenyl)-3-(2,6-difluorophenyl)-1,2,4-oxadiazole has a molecular weight of 337.12 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-3-(2,6-difluorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 7354772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).