4-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-one

C8H4BrFN2O2 — CID 129250553

IUPAC4-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-one
SMILESO=c1oncn1-c1ccc(F)c(Br)c1
InChIInChI=1S/C8H4BrFN2O2/c9-6-3-5(1-2-7(6)10)12-4-11-14-8(12)13/h1-4H
InChIKeyPRDCRTWLZMXQLM-UHFFFAOYSA-N
MW259.03 g/mol
LogP1.73
Rot. Bonds1

About 4-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-one

4-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-one (PubChem CID 129250553) has the molecular formula C8H4BrFN2O2 and a molecular weight of 259.03 g/mol. Its IUPAC name is 4-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name4-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-one
PubChem CID129250553
Molecular FormulaC8H4BrFN2O2
Molecular Weight259.03 g/mol
Exact Mass257.94
IUPAC Name4-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-one
SMILESO=c1oncn1-c1ccc(F)c(Br)c1
InChIInChI=1S/C8H4BrFN2O2/c9-6-3-5(1-2-7(6)10)12-4-11-14-8(12)13/h1-4H
InChIKeyPRDCRTWLZMXQLM-UHFFFAOYSA-N
XLogP1.73
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.03
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-one?
The IUPAC name of 4-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-one (CID 129250553) is 4-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 4-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-one?
The canonical SMILES for 4-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-one is O=c1oncn1-c1ccc(F)c(Br)c1.
What is the InChIKey of 4-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-one?
The InChIKey is PRDCRTWLZMXQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrFN2O2/c9-6-3-5(1-2-7(6)10)12-4-11-14-8(12)13/h1-4H.
What are the key properties of 4-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-one?
4-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-one has a molecular weight of 259.03 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 129250553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).