4,7-bis(5-bromofuran-2-yl)-2,1,3-benzoxadiazole

C14H6Br2N2O3 — CID 156779682

IUPAC4,7-bis(5-bromofuran-2-yl)-2,1,3-benzoxadiazole
SMILESBrc1ccc(-c2ccc(-c3ccc(Br)o3)c3nonc23)o1
InChIInChI=1S/C14H6Br2N2O3/c15-11-5-3-9(19-11)7-1-2-8(10-4-6-12(16)20-10)14-13(7)17-21-18-14/h1-6H
InChIKeyDMWRAEJMTXHAGE-UHFFFAOYSA-N
MW410.02 g/mol
LogP5.27
Rot. Bonds2

About 4,7-bis(5-bromofuran-2-yl)-2,1,3-benzoxadiazole

4,7-bis(5-bromofuran-2-yl)-2,1,3-benzoxadiazole (PubChem CID 156779682) has the molecular formula C14H6Br2N2O3 and a molecular weight of 410.02 g/mol. Its IUPAC name is 4,7-bis(5-bromofuran-2-yl)-2,1,3-benzoxadiazole.

Molecular Properties

Compound Name4,7-bis(5-bromofuran-2-yl)-2,1,3-benzoxadiazole
PubChem CID156779682
Molecular FormulaC14H6Br2N2O3
Molecular Weight410.02 g/mol
Exact Mass407.87
IUPAC Name4,7-bis(5-bromofuran-2-yl)-2,1,3-benzoxadiazole
SMILESBrc1ccc(-c2ccc(-c3ccc(Br)o3)c3nonc23)o1
InChIInChI=1S/C14H6Br2N2O3/c15-11-5-3-9(19-11)7-1-2-8(10-4-6-12(16)20-10)14-13(7)17-21-18-14/h1-6H
InChIKeyDMWRAEJMTXHAGE-UHFFFAOYSA-N
XLogP5.27
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.02
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 71732410
CID 71732410
4-(5-bromofuran-2-yl)-2-(2-bromophenyl)-1,3-thiazole
CID 104654186
2-(5-bromofuran-2-yl)-1,3-thiazole-4-carbaldehyde
CID 60998358
2-amino-5-(5-bromofuran-2-yl)-1H-pyrimidin-6-one
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4-bromo-6-(5-bromofuran-2-yl)pyrimidine
CID 121205669
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5-(5-bromofuran-2-yl)-1H-1,2,4-triazole
CID 53264351
5-(5-bromofuran-2-yl)-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine
CID 66200957
3-(5-bromofuran-2-yl)-5-[(1S)-1-methylsulfonylethyl]-1,2,4-oxadiazole
CID 99827655
5-(5-bromofuran-2-yl)-1H-pyrazol-3-amine
CID 24702930
2-(5-bromofuran-2-yl)-4,6-dichloro-5-fluoropyrimidine
CID 80550973
5-(5-bromofuran-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 888395

Frequently Asked Questions

What is the IUPAC name of 4,7-bis(5-bromofuran-2-yl)-2,1,3-benzoxadiazole?
The IUPAC name of 4,7-bis(5-bromofuran-2-yl)-2,1,3-benzoxadiazole (CID 156779682) is 4,7-bis(5-bromofuran-2-yl)-2,1,3-benzoxadiazole.
What is the SMILES notation for 4,7-bis(5-bromofuran-2-yl)-2,1,3-benzoxadiazole?
The canonical SMILES for 4,7-bis(5-bromofuran-2-yl)-2,1,3-benzoxadiazole is Brc1ccc(-c2ccc(-c3ccc(Br)o3)c3nonc23)o1.
What is the InChIKey of 4,7-bis(5-bromofuran-2-yl)-2,1,3-benzoxadiazole?
The InChIKey is DMWRAEJMTXHAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6Br2N2O3/c15-11-5-3-9(19-11)7-1-2-8(10-4-6-12(16)20-10)14-13(7)17-21-18-14/h1-6H.
What are the key properties of 4,7-bis(5-bromofuran-2-yl)-2,1,3-benzoxadiazole?
4,7-bis(5-bromofuran-2-yl)-2,1,3-benzoxadiazole has a molecular weight of 410.02 g/mol, XLogP of 5.27, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-bis(5-bromofuran-2-yl)-2,1,3-benzoxadiazole is sourced from PubChem (CID 156779682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).