[4-[4-(3-bromo-4-fluorophenyl)-5H-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]hydrazine

C10H8BrFN6O2 — CID 175955827

IUPAC[4-[4-(3-bromo-4-fluorophenyl)-5H-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]hydrazine
SMILESNNc1nonc1C1=NOCN1c1ccc(F)c(Br)c1
InChIInChI=1S/C10H8BrFN6O2/c11-6-3-5(1-2-7(6)12)18-4-19-17-10(18)8-9(14-13)16-20-15-8/h1-3H,4,13H2,(H,14,16)
InChIKeyIUMVCPXXUPMTIP-UHFFFAOYSA-N
MW343.12 g/mol
LogP1.41
Rot. Bonds3

About [4-[4-(3-bromo-4-fluorophenyl)-5H-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]hydrazine

[4-[4-(3-bromo-4-fluorophenyl)-5H-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]hydrazine (PubChem CID 175955827) has the molecular formula C10H8BrFN6O2 and a molecular weight of 343.12 g/mol. Its IUPAC name is [4-[4-(3-bromo-4-fluorophenyl)-5H-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]hydrazine.

Molecular Properties

Compound Name[4-[4-(3-bromo-4-fluorophenyl)-5H-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]hydrazine
PubChem CID175955827
Molecular FormulaC10H8BrFN6O2
Molecular Weight343.12 g/mol
Exact Mass341.99
IUPAC Name[4-[4-(3-bromo-4-fluorophenyl)-5H-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]hydrazine
SMILESNNc1nonc1C1=NOCN1c1ccc(F)c(Br)c1
InChIInChI=1S/C10H8BrFN6O2/c11-6-3-5(1-2-7(6)12)18-4-19-17-10(18)8-9(14-13)16-20-15-8/h1-3H,4,13H2,(H,14,16)
InChIKeyIUMVCPXXUPMTIP-UHFFFAOYSA-N
XLogP1.41
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.12
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-(3-bromo-4-fluorophenyl)-3-[4-(2-thiomorpholin-4-ylethylamino)-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one
CID 134454265
3-[4-(2-aminoethylamino)-1,2,5-oxadiazol-3-yl]-4-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-one;ethane
CID 145385747
3-(3-bromo-4-fluorophenyl)-1,3-oxazolidin-2-one
CID 104779667
[4-[[4-[4-(3-bromo-4-fluorophenyl)-5-(oxomethylidene)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]cyclohexyl]sulfamoyl carbamate
CID 176517322
4-(3-bromo-4-fluorophenyl)-3-[4-[2-[diamino(methyl)-λ4-sulfanyl]ethylamino]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one
CID 142330567
2-[3-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]propyl]guanidine
CID 146427741
4-(3-bromo-4-fluorophenyl)-5-(oxomethylidene)-3-[4-[[1-(2-sulfinatohydrazinyl)cyclopropyl]methylsulfanyl]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazole
CID 141475082
1-(3-bromo-4-fluorophenyl)azepan-2-one
CID 104779696
4-(3-bromo-4-fluorophenyl)-5-oxo-3-[4-[3-(sulfamoylamino)cyclobutyl]sulfanyl-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazole
CID 175203752
4-(3-bromo-4-fluorophenyl)-3-[4-(pyrrolidin-3-ylmethylamino)-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one
CID 155237961
4-(3-bromo-4-fluorophenyl)-3-[4-(4-hydroxybutoxyamino)-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one
CID 156664150
1-(3-bromo-4-fluorophenyl)pyrrolidin-2-imine
CID 104779800

Frequently Asked Questions

What is the IUPAC name of [4-[4-(3-bromo-4-fluorophenyl)-5H-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]hydrazine?
The IUPAC name of [4-[4-(3-bromo-4-fluorophenyl)-5H-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]hydrazine (CID 175955827) is [4-[4-(3-bromo-4-fluorophenyl)-5H-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]hydrazine.
What is the SMILES notation for [4-[4-(3-bromo-4-fluorophenyl)-5H-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]hydrazine?
The canonical SMILES for [4-[4-(3-bromo-4-fluorophenyl)-5H-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]hydrazine is NNc1nonc1C1=NOCN1c1ccc(F)c(Br)c1.
What is the InChIKey of [4-[4-(3-bromo-4-fluorophenyl)-5H-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]hydrazine?
The InChIKey is IUMVCPXXUPMTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFN6O2/c11-6-3-5(1-2-7(6)12)18-4-19-17-10(18)8-9(14-13)16-20-15-8/h1-3H,4,13H2,(H,14,16).
What are the key properties of [4-[4-(3-bromo-4-fluorophenyl)-5H-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]hydrazine?
[4-[4-(3-bromo-4-fluorophenyl)-5H-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]hydrazine has a molecular weight of 343.12 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(3-bromo-4-fluorophenyl)-5H-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]hydrazine is sourced from PubChem (CID 175955827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).