5-(5-bromofuran-2-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole

C12H6BrFN2O2 — CID 6458361

IUPAC5-(5-bromofuran-2-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole
SMILESFc1ccc(-c2noc(-c3ccc(Br)o3)n2)cc1
InChIInChI=1S/C12H6BrFN2O2/c13-10-6-5-9(17-10)12-15-11(16-18-12)7-1-3-8(14)4-2-7/h1-6H
InChIKeyLTSSOAXIDCZCTC-UHFFFAOYSA-N
MW309.09 g/mol
LogP3.90
Rot. Bonds2

About 5-(5-bromofuran-2-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole

5-(5-bromofuran-2-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole (PubChem CID 6458361) has the molecular formula C12H6BrFN2O2 and a molecular weight of 309.09 g/mol. Its IUPAC name is 5-(5-bromofuran-2-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(5-bromofuran-2-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole
PubChem CID6458361
Molecular FormulaC12H6BrFN2O2
Molecular Weight309.09 g/mol
Exact Mass307.96
IUPAC Name5-(5-bromofuran-2-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole
SMILESFc1ccc(-c2noc(-c3ccc(Br)o3)n2)cc1
InChIInChI=1S/C12H6BrFN2O2/c13-10-6-5-9(17-10)12-15-11(16-18-12)7-1-3-8(14)4-2-7/h1-6H
InChIKeyLTSSOAXIDCZCTC-UHFFFAOYSA-N
XLogP3.90
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.09
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-bromofuran-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 888395
N-[[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methyl]methanesulfonamide
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5-(5-bromofuran-2-yl)-3-(1-ethylbenzimidazol-5-yl)-1,2,4-oxadiazole
CID 53030861
4-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]sulfonylmorpholine
CID 45492959
6-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpyridazin-3-one
CID 83274107
3-(4-fluorophenyl)-5-(4-iodo-1H-pyrazol-5-yl)-1,2,4-oxadiazole
CID 19324652
5-fluoro-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136809721
3-(4-fluorophenyl)-5-[5-(naphthalen-1-yloxymethyl)furan-2-yl]-1,2,4-oxadiazole
CID 19324674
3-(4-fluorophenyl)-5-[5-[(2-methylphenoxy)methyl]furan-2-yl]-1,2,4-oxadiazole
CID 19326321
3-(4-fluorophenyl)-5-[5-(naphthalen-2-yloxymethyl)furan-2-yl]-1,2,4-oxadiazole
CID 19326221
3-(4-fluorophenyl)-5-(2-methylphenyl)-1,2,4-oxadiazole
CID 817382
4-fluoro-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 43514752

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromofuran-2-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(5-bromofuran-2-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole (CID 6458361) is 5-(5-bromofuran-2-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(5-bromofuran-2-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(5-bromofuran-2-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole is Fc1ccc(-c2noc(-c3ccc(Br)o3)n2)cc1.
What is the InChIKey of 5-(5-bromofuran-2-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole?
The InChIKey is LTSSOAXIDCZCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrFN2O2/c13-10-6-5-9(17-10)12-15-11(16-18-12)7-1-3-8(14)4-2-7/h1-6H.
What are the key properties of 5-(5-bromofuran-2-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole?
5-(5-bromofuran-2-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole has a molecular weight of 309.09 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromofuran-2-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 6458361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).