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

C12H7BrN2O2 — CID 1362916

IUPAC2-(4-bromophenyl)-5-(furan-2-yl)-1,3,4-oxadiazole
SMILESBrc1ccc(-c2nnc(-c3ccco3)o2)cc1
InChIInChI=1S/C12H7BrN2O2/c13-9-5-3-8(4-6-9)11-14-15-12(17-11)10-2-1-7-16-10/h1-7H
InChIKeyJFBUDBFZVIREJG-UHFFFAOYSA-N
MW291.10 g/mol
LogP3.76
Rot. Bonds2

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

2-(4-bromophenyl)-5-(furan-2-yl)-1,3,4-oxadiazole (PubChem CID 1362916) has the molecular formula C12H7BrN2O2 and a molecular weight of 291.10 g/mol. Its IUPAC name is 2-(4-bromophenyl)-5-(furan-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-bromophenyl)-5-(furan-2-yl)-1,3,4-oxadiazole
PubChem CID1362916
Molecular FormulaC12H7BrN2O2
Molecular Weight291.10 g/mol
Exact Mass289.97
IUPAC Name2-(4-bromophenyl)-5-(furan-2-yl)-1,3,4-oxadiazole
SMILESBrc1ccc(-c2nnc(-c3ccco3)o2)cc1
InChIInChI=1S/C12H7BrN2O2/c13-9-5-3-8(4-6-9)11-14-15-12(17-11)10-2-1-7-16-10/h1-7H
InChIKeyJFBUDBFZVIREJG-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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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-5-(furan-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(4-bromophenyl)-5-(furan-2-yl)-1,3,4-oxadiazole (CID 1362916) is 2-(4-bromophenyl)-5-(furan-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-bromophenyl)-5-(furan-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-bromophenyl)-5-(furan-2-yl)-1,3,4-oxadiazole is Brc1ccc(-c2nnc(-c3ccco3)o2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-5-(furan-2-yl)-1,3,4-oxadiazole?
The InChIKey is JFBUDBFZVIREJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrN2O2/c13-9-5-3-8(4-6-9)11-14-15-12(17-11)10-2-1-7-16-10/h1-7H.
What are the key properties of 2-(4-bromophenyl)-5-(furan-2-yl)-1,3,4-oxadiazole?
2-(4-bromophenyl)-5-(furan-2-yl)-1,3,4-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 2-(4-bromophenyl)-5-(furan-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 1362916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).