2-(2-bromo-5-methoxyphenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole

C15H10BrFN2O2 — CID 22432651

IUPAC2-(2-bromo-5-methoxyphenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole
SMILESCOc1ccc(Br)c(-c2nnc(-c3ccc(F)cc3)o2)c1
InChIInChI=1S/C15H10BrFN2O2/c1-20-11-6-7-13(16)12(8-11)15-19-18-14(21-15)9-2-4-10(17)5-3-9/h2-8H,1H3
InChIKeyIONBUALUPFEVFN-UHFFFAOYSA-N
MW349.16 g/mol
LogP4.31
Rot. Bonds3

About 2-(2-bromo-5-methoxyphenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole

2-(2-bromo-5-methoxyphenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole (PubChem CID 22432651) has the molecular formula C15H10BrFN2O2 and a molecular weight of 349.16 g/mol. Its IUPAC name is 2-(2-bromo-5-methoxyphenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-bromo-5-methoxyphenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole
PubChem CID22432651
Molecular FormulaC15H10BrFN2O2
Molecular Weight349.16 g/mol
Exact Mass347.99
IUPAC Name2-(2-bromo-5-methoxyphenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole
SMILESCOc1ccc(Br)c(-c2nnc(-c3ccc(F)cc3)o2)c1
InChIInChI=1S/C15H10BrFN2O2/c1-20-11-6-7-13(16)12(8-11)15-19-18-14(21-15)9-2-4-10(17)5-3-9/h2-8H,1H3
InChIKeyIONBUALUPFEVFN-UHFFFAOYSA-N
XLogP4.31
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.16
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-methoxyphenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(2-bromo-5-methoxyphenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole (CID 22432651) is 2-(2-bromo-5-methoxyphenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-bromo-5-methoxyphenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-bromo-5-methoxyphenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole is COc1ccc(Br)c(-c2nnc(-c3ccc(F)cc3)o2)c1.
What is the InChIKey of 2-(2-bromo-5-methoxyphenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole?
The InChIKey is IONBUALUPFEVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFN2O2/c1-20-11-6-7-13(16)12(8-11)15-19-18-14(21-15)9-2-4-10(17)5-3-9/h2-8H,1H3.
What are the key properties of 2-(2-bromo-5-methoxyphenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole?
2-(2-bromo-5-methoxyphenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole has a molecular weight of 349.16 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-methoxyphenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 22432651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).