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

C11H10BrFN2O2 — CID 81495060

IUPAC2-[(2-bromo-5-fluorophenoxy)methyl]-5-ethyl-1,3,4-oxadiazole
SMILESCCc1nnc(COc2cc(F)ccc2Br)o1
InChIInChI=1S/C11H10BrFN2O2/c1-2-10-14-15-11(17-10)6-16-9-5-7(13)3-4-8(9)12/h3-5H,2,6H2,1H3
InChIKeyQBHALFWRTCBUGX-UHFFFAOYSA-N
MW301.12 g/mol
LogP3.11
Rot. Bonds4

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

2-[(2-bromo-5-fluorophenoxy)methyl]-5-ethyl-1,3,4-oxadiazole (PubChem CID 81495060) has the molecular formula C11H10BrFN2O2 and a molecular weight of 301.12 g/mol. Its IUPAC name is 2-[(2-bromo-5-fluorophenoxy)methyl]-5-ethyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2-bromo-5-fluorophenoxy)methyl]-5-ethyl-1,3,4-oxadiazole
PubChem CID81495060
Molecular FormulaC11H10BrFN2O2
Molecular Weight301.12 g/mol
Exact Mass299.99
IUPAC Name2-[(2-bromo-5-fluorophenoxy)methyl]-5-ethyl-1,3,4-oxadiazole
SMILESCCc1nnc(COc2cc(F)ccc2Br)o1
InChIInChI=1S/C11H10BrFN2O2/c1-2-10-14-15-11(17-10)6-16-9-5-7(13)3-4-8(9)12/h3-5H,2,6H2,1H3
InChIKeyQBHALFWRTCBUGX-UHFFFAOYSA-N
XLogP3.11
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.12
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(2-bromo-5-fluorophenoxy)methyl]-5-ethyl-1,3,4-oxadiazole with MolForge

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

Launch Full Analysis

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-[(4-Fluorophenoxy)methyl]-5-methylsulfanyl-1,3,4-oxadiazole
CID 862315
2-[(3-Bromo-4-fluorophenoxy)methyl]-5-methyl-1,3,4-oxadiazole
CID 83235241
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-[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
2-[2-(4-bromophenoxy)ethylsulfanyl]-5-[(1S)-1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazole
CID 25715808
2-[2-(4-bromophenoxy)ethylsulfanyl]-5-[(1R)-1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazole
CID 25719927

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-5-fluorophenoxy)methyl]-5-ethyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(2-bromo-5-fluorophenoxy)methyl]-5-ethyl-1,3,4-oxadiazole (CID 81495060) is 2-[(2-bromo-5-fluorophenoxy)methyl]-5-ethyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2-bromo-5-fluorophenoxy)methyl]-5-ethyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2-bromo-5-fluorophenoxy)methyl]-5-ethyl-1,3,4-oxadiazole is CCc1nnc(COc2cc(F)ccc2Br)o1.
What is the InChIKey of 2-[(2-bromo-5-fluorophenoxy)methyl]-5-ethyl-1,3,4-oxadiazole?
The InChIKey is QBHALFWRTCBUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN2O2/c1-2-10-14-15-11(17-10)6-16-9-5-7(13)3-4-8(9)12/h3-5H,2,6H2,1H3.
What are the key properties of 2-[(2-bromo-5-fluorophenoxy)methyl]-5-ethyl-1,3,4-oxadiazole?
2-[(2-bromo-5-fluorophenoxy)methyl]-5-ethyl-1,3,4-oxadiazole has a molecular weight of 301.12 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-5-fluorophenoxy)methyl]-5-ethyl-1,3,4-oxadiazole is sourced from PubChem (CID 81495060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).