3-[(5-bromo-2-fluorophenyl)methyl]-5-(furan-2-yl)-1,3,4-oxadiazol-2-one

C13H8BrFN2O3 — CID 47449005

IUPAC3-[(5-bromo-2-fluorophenyl)methyl]-5-(furan-2-yl)-1,3,4-oxadiazol-2-one
SMILESO=c1oc(-c2ccco2)nn1Cc1cc(Br)ccc1F
InChIInChI=1S/C13H8BrFN2O3/c14-9-3-4-10(15)8(6-9)7-17-13(18)20-12(16-17)11-2-1-5-19-11/h1-6H,7H2
InChIKeyUSDDHMLACIZLSA-UHFFFAOYSA-N
MW339.12 g/mol
LogP3.05
Rot. Bonds3

About 3-[(5-bromo-2-fluorophenyl)methyl]-5-(furan-2-yl)-1,3,4-oxadiazol-2-one

3-[(5-bromo-2-fluorophenyl)methyl]-5-(furan-2-yl)-1,3,4-oxadiazol-2-one (PubChem CID 47449005) has the molecular formula C13H8BrFN2O3 and a molecular weight of 339.12 g/mol. Its IUPAC name is 3-[(5-bromo-2-fluorophenyl)methyl]-5-(furan-2-yl)-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name3-[(5-bromo-2-fluorophenyl)methyl]-5-(furan-2-yl)-1,3,4-oxadiazol-2-one
PubChem CID47449005
Molecular FormulaC13H8BrFN2O3
Molecular Weight339.12 g/mol
Exact Mass337.97
IUPAC Name3-[(5-bromo-2-fluorophenyl)methyl]-5-(furan-2-yl)-1,3,4-oxadiazol-2-one
SMILESO=c1oc(-c2ccco2)nn1Cc1cc(Br)ccc1F
InChIInChI=1S/C13H8BrFN2O3/c14-9-3-4-10(15)8(6-9)7-17-13(18)20-12(16-17)11-2-1-5-19-11/h1-6H,7H2
InChIKeyUSDDHMLACIZLSA-UHFFFAOYSA-N
XLogP3.05
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.12
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[(5-bromo-2-fluorophenyl)methyl]-5-(furan-2-yl)-1,3,4-oxadiazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-2-fluorophenyl)methyl]-5-(furan-2-yl)-1,3,4-oxadiazol-2-one?
The IUPAC name of 3-[(5-bromo-2-fluorophenyl)methyl]-5-(furan-2-yl)-1,3,4-oxadiazol-2-one (CID 47449005) is 3-[(5-bromo-2-fluorophenyl)methyl]-5-(furan-2-yl)-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 3-[(5-bromo-2-fluorophenyl)methyl]-5-(furan-2-yl)-1,3,4-oxadiazol-2-one?
The canonical SMILES for 3-[(5-bromo-2-fluorophenyl)methyl]-5-(furan-2-yl)-1,3,4-oxadiazol-2-one is O=c1oc(-c2ccco2)nn1Cc1cc(Br)ccc1F.
What is the InChIKey of 3-[(5-bromo-2-fluorophenyl)methyl]-5-(furan-2-yl)-1,3,4-oxadiazol-2-one?
The InChIKey is USDDHMLACIZLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrFN2O3/c14-9-3-4-10(15)8(6-9)7-17-13(18)20-12(16-17)11-2-1-5-19-11/h1-6H,7H2.
What are the key properties of 3-[(5-bromo-2-fluorophenyl)methyl]-5-(furan-2-yl)-1,3,4-oxadiazol-2-one?
3-[(5-bromo-2-fluorophenyl)methyl]-5-(furan-2-yl)-1,3,4-oxadiazol-2-one has a molecular weight of 339.12 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-2-fluorophenyl)methyl]-5-(furan-2-yl)-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 47449005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).