3-(3-bromophenyl)-5-(furan-2-yl)-1,2,4-oxadiazole

C12H7BrN2O2 — CID 2989048

IUPAC3-(3-bromophenyl)-5-(furan-2-yl)-1,2,4-oxadiazole
SMILESBrc1cccc(-c2noc(-c3ccco3)n2)c1
InChIInChI=1S/C12H7BrN2O2/c13-9-4-1-3-8(7-9)11-14-12(17-15-11)10-5-2-6-16-10/h1-7H
InChIKeyKKISPVJIKJFEIB-UHFFFAOYSA-N
MW291.10 g/mol
LogP3.76
Rot. Bonds2

About 3-(3-bromophenyl)-5-(furan-2-yl)-1,2,4-oxadiazole

3-(3-bromophenyl)-5-(furan-2-yl)-1,2,4-oxadiazole (PubChem CID 2989048) has the molecular formula C12H7BrN2O2 and a molecular weight of 291.10 g/mol. Its IUPAC name is 3-(3-bromophenyl)-5-(furan-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-bromophenyl)-5-(furan-2-yl)-1,2,4-oxadiazole
PubChem CID2989048
Molecular FormulaC12H7BrN2O2
Molecular Weight291.10 g/mol
Exact Mass289.97
IUPAC Name3-(3-bromophenyl)-5-(furan-2-yl)-1,2,4-oxadiazole
SMILESBrc1cccc(-c2noc(-c3ccco3)n2)c1
InChIInChI=1S/C12H7BrN2O2/c13-9-4-1-3-8(7-9)11-14-12(17-15-11)10-5-2-6-16-10/h1-7H
InChIKeyKKISPVJIKJFEIB-UHFFFAOYSA-N
XLogP3.76
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.10
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 11414183
5-(furan-2-yl)-3-(3-nitrophenyl)-1,2,4-oxadiazole
CID 699740
5-(3-bromophenyl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 5191480
5-(3-bromophenyl)-3-(2,6-difluorophenyl)-1,2,4-oxadiazole
CID 7354772
5-[2-(furan-2-yl)phenyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 168526202
2-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-4-fluorophenol
CID 137011333
5-(furan-2-yl)-3-(4-methylsulfanylphenyl)-1,2,4-oxadiazole
CID 99964209
5-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-2-methoxyaniline
CID 100559933
3-(3-bromophenyl)-5-(3-chloro-4-methylphenyl)-1,2,4-oxadiazole
CID 8895295
4-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
CID 62787081
3-(3-bromophenyl)-5-(2,4-dichlorophenyl)-1,2,4-oxadiazole
CID 8895091
3-(3-bromophenyl)-5-(iodomethyl)-1,2,4-oxadiazole
CID 64787760

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-5-(furan-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3-bromophenyl)-5-(furan-2-yl)-1,2,4-oxadiazole (CID 2989048) is 3-(3-bromophenyl)-5-(furan-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-bromophenyl)-5-(furan-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-bromophenyl)-5-(furan-2-yl)-1,2,4-oxadiazole is Brc1cccc(-c2noc(-c3ccco3)n2)c1.
What is the InChIKey of 3-(3-bromophenyl)-5-(furan-2-yl)-1,2,4-oxadiazole?
The InChIKey is KKISPVJIKJFEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrN2O2/c13-9-4-1-3-8(7-9)11-14-12(17-15-11)10-5-2-6-16-10/h1-7H.
What are the key properties of 3-(3-bromophenyl)-5-(furan-2-yl)-1,2,4-oxadiazole?
3-(3-bromophenyl)-5-(furan-2-yl)-1,2,4-oxadiazole has a molecular weight of 291.10 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-5-(furan-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 2989048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).