2-[(3-bromo-4-fluorophenoxy)methyl]-5-methyl-1,3,4-oxadiazole

C10H8BrFN2O2 — CID 83235241

IUPAC2-[(3-bromo-4-fluorophenoxy)methyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(COc2ccc(F)c(Br)c2)o1
InChIInChI=1S/C10H8BrFN2O2/c1-6-13-14-10(16-6)5-15-7-2-3-9(12)8(11)4-7/h2-4H,5H2,1H3
InChIKeyQWTKFXJNJMBLKM-UHFFFAOYSA-N
MW287.09 g/mol
LogP2.86
Rot. Bonds3

About 2-[(3-bromo-4-fluorophenoxy)methyl]-5-methyl-1,3,4-oxadiazole

2-[(3-bromo-4-fluorophenoxy)methyl]-5-methyl-1,3,4-oxadiazole (PubChem CID 83235241) has the molecular formula C10H8BrFN2O2 and a molecular weight of 287.09 g/mol. Its IUPAC name is 2-[(3-bromo-4-fluorophenoxy)methyl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(3-bromo-4-fluorophenoxy)methyl]-5-methyl-1,3,4-oxadiazole
PubChem CID83235241
Molecular FormulaC10H8BrFN2O2
Molecular Weight287.09 g/mol
Exact Mass285.98
IUPAC Name2-[(3-bromo-4-fluorophenoxy)methyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(COc2ccc(F)c(Br)c2)o1
InChIInChI=1S/C10H8BrFN2O2/c1-6-13-14-10(16-6)5-15-7-2-3-9(12)8(11)4-7/h2-4H,5H2,1H3
InChIKeyQWTKFXJNJMBLKM-UHFFFAOYSA-N
XLogP2.86
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.09
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-Bromo-2-fluorophenoxy)methyl]-5-cyclopropyl-1,3,4-oxadiazole
CID 47073114
2-(2,2-Dimethylpropyl)-5-[(2-fluorophenoxy)methyl]-1,3,4-oxadiazole
CID 132376498
2-Ethylsulfanyl-5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazole
CID 862314
2-[(4-Fluorophenoxy)methyl]-5-methylsulfanyl-1,3,4-oxadiazole
CID 862315
2-Ethylsulfanyl-5-[(2-fluorophenoxy)methyl]-1,3,4-oxadiazole
CID 126388910
2-[(4-Fluorophenoxy)methyl]-1,3,4-oxadiazole
CID 137774003
2-[(2-Fluorophenoxy)methyl]-5-methylsulfanyl-1,3,4-oxadiazole
CID 141471099
2-[(3-Bromo-4-fluorophenoxy)methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 163255292
2-[(5-Bromo-2-fluorophenoxy)methyl]-5-ethoxy-1,3,4-thiadiazole
CID 166088333
2-[2-(4-Bromophenoxy)ethylsulfanyl]-5-[1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazole
CID 16315594
2-[2-(4-Bromophenoxy)ethylsulfanyl]-5-[1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazole
CID 16333370
2-[2-(4-bromophenoxy)ethylsulfanyl]-5-[(1R)-1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazole
CID 25715807

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-4-fluorophenoxy)methyl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(3-bromo-4-fluorophenoxy)methyl]-5-methyl-1,3,4-oxadiazole (CID 83235241) is 2-[(3-bromo-4-fluorophenoxy)methyl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(3-bromo-4-fluorophenoxy)methyl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(3-bromo-4-fluorophenoxy)methyl]-5-methyl-1,3,4-oxadiazole is Cc1nnc(COc2ccc(F)c(Br)c2)o1.
What is the InChIKey of 2-[(3-bromo-4-fluorophenoxy)methyl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is QWTKFXJNJMBLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFN2O2/c1-6-13-14-10(16-6)5-15-7-2-3-9(12)8(11)4-7/h2-4H,5H2,1H3.
What are the key properties of 2-[(3-bromo-4-fluorophenoxy)methyl]-5-methyl-1,3,4-oxadiazole?
2-[(3-bromo-4-fluorophenoxy)methyl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 287.09 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-4-fluorophenoxy)methyl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 83235241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).