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

C12H5BrClN3O4 — CID 4916153

IUPAC3-(5-bromofuran-2-yl)-5-(4-chloro-3-nitrophenyl)-1,2,4-oxadiazole
SMILESO=[N+]([O-])c1cc(-c2nc(-c3ccc(Br)o3)no2)ccc1Cl
InChIInChI=1S/C12H5BrClN3O4/c13-10-4-3-9(20-10)11-15-12(21-16-11)6-1-2-7(14)8(5-6)17(18)19/h1-5H
InChIKeyONQJXDMCEXETRW-UHFFFAOYSA-N
MW370.55 g/mol
LogP4.32
Rot. Bonds3

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

3-(5-bromofuran-2-yl)-5-(4-chloro-3-nitrophenyl)-1,2,4-oxadiazole (PubChem CID 4916153) has the molecular formula C12H5BrClN3O4 and a molecular weight of 370.55 g/mol. Its IUPAC name is 3-(5-bromofuran-2-yl)-5-(4-chloro-3-nitrophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(5-bromofuran-2-yl)-5-(4-chloro-3-nitrophenyl)-1,2,4-oxadiazole
PubChem CID4916153
Molecular FormulaC12H5BrClN3O4
Molecular Weight370.55 g/mol
Exact Mass368.92
IUPAC Name3-(5-bromofuran-2-yl)-5-(4-chloro-3-nitrophenyl)-1,2,4-oxadiazole
SMILESO=[N+]([O-])c1cc(-c2nc(-c3ccc(Br)o3)no2)ccc1Cl
InChIInChI=1S/C12H5BrClN3O4/c13-10-4-3-9(20-10)11-15-12(21-16-11)6-1-2-7(14)8(5-6)17(18)19/h1-5H
InChIKeyONQJXDMCEXETRW-UHFFFAOYSA-N
XLogP4.32
TPSA95.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.55
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(1,3-benzodioxol-5-yl)-5-(4-chloro-3-nitrophenyl)-1,2,4-oxadiazole
CID 5301187
5-(4-chloro-3-nitrophenyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 8895254
5-(4-chloro-3-nitrophenyl)-3-ethyl-1,2,4-oxadiazole
CID 23010472
5-(4-chloro-3-nitrophenyl)-3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazole
CID 23008260
4-[3-(5-bromofuran-2-yl)-1,2,4-oxadiazol-5-yl]-1-methylpyridin-2-one
CID 71924986
3-(2,4-dichlorophenyl)-5-(3-methyl-4-nitrophenyl)-1,2,4-oxadiazole
CID 19326503
2-(4-chloro-3-nitrophenyl)-3,1-benzoxazin-4-one
CID 745570
5-(5-bromofuran-2-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 6458361
3-(4-chlorophenyl)-5-(2-nitrophenyl)-1,2,4-oxadiazole
CID 3482072
1-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-N-methylmethanamine
CID 107812054
2-(4-chloro-3-nitrophenyl)-4-[4-(dimethylamino)phenyl]-1,3-oxazin-6-one
CID 1419181
3,5-bis(4-nitrophenyl)-1,2,4-oxadiazole
CID 596524

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromofuran-2-yl)-5-(4-chloro-3-nitrophenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(5-bromofuran-2-yl)-5-(4-chloro-3-nitrophenyl)-1,2,4-oxadiazole (CID 4916153) is 3-(5-bromofuran-2-yl)-5-(4-chloro-3-nitrophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(5-bromofuran-2-yl)-5-(4-chloro-3-nitrophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(5-bromofuran-2-yl)-5-(4-chloro-3-nitrophenyl)-1,2,4-oxadiazole is O=[N+]([O-])c1cc(-c2nc(-c3ccc(Br)o3)no2)ccc1Cl.
What is the InChIKey of 3-(5-bromofuran-2-yl)-5-(4-chloro-3-nitrophenyl)-1,2,4-oxadiazole?
The InChIKey is ONQJXDMCEXETRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5BrClN3O4/c13-10-4-3-9(20-10)11-15-12(21-16-11)6-1-2-7(14)8(5-6)17(18)19/h1-5H.
What are the key properties of 3-(5-bromofuran-2-yl)-5-(4-chloro-3-nitrophenyl)-1,2,4-oxadiazole?
3-(5-bromofuran-2-yl)-5-(4-chloro-3-nitrophenyl)-1,2,4-oxadiazole has a molecular weight of 370.55 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromofuran-2-yl)-5-(4-chloro-3-nitrophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 4916153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).