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

C11H10BrFN2O2 — CID 115918530

IUPAC3-[(5-bromo-2-fluorophenoxy)methyl]-5-ethyl-1,2,4-oxadiazole
SMILESCCc1nc(COc2cc(Br)ccc2F)no1
InChIInChI=1S/C11H10BrFN2O2/c1-2-11-14-10(15-17-11)6-16-9-5-7(12)3-4-8(9)13/h3-5H,2,6H2,1H3
InChIKeyCVERUDVJKNUBGQ-UHFFFAOYSA-N
MW301.12 g/mol
LogP3.11
Rot. Bonds4

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

3-[(5-bromo-2-fluorophenoxy)methyl]-5-ethyl-1,2,4-oxadiazole (PubChem CID 115918530) has the molecular formula C11H10BrFN2O2 and a molecular weight of 301.12 g/mol. Its IUPAC name is 3-[(5-bromo-2-fluorophenoxy)methyl]-5-ethyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(5-bromo-2-fluorophenoxy)methyl]-5-ethyl-1,2,4-oxadiazole
PubChem CID115918530
Molecular FormulaC11H10BrFN2O2
Molecular Weight301.12 g/mol
Exact Mass299.99
IUPAC Name3-[(5-bromo-2-fluorophenoxy)methyl]-5-ethyl-1,2,4-oxadiazole
SMILESCCc1nc(COc2cc(Br)ccc2F)no1
InChIInChI=1S/C11H10BrFN2O2/c1-2-11-14-10(15-17-11)6-16-9-5-7(12)3-4-8(9)13/h3-5H,2,6H2,1H3
InChIKeyCVERUDVJKNUBGQ-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 3-[(5-bromo-2-fluorophenoxy)methyl]-5-ethyl-1,2,4-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

3-[(2-bromo-4-methylphenoxy)methyl]-5-ethyl-1,2,4-oxadiazole
CID 54959293
2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-5-fluorobenzoic acid
CID 115297819
4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3-fluorobenzenesulfonyl chloride
CID 82917859
5-bromo-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-2-fluorobenzenesulfonyl chloride
CID 82912610
5-[(5-bromo-2-fluorophenoxy)methyl]-3-methyl-1,2-oxazole
CID 115918504
5-[(2-fluoro-5-methylphenoxy)methyl]-3-propyl-1,2,4-oxadiazole
CID 64854154
(1S)-1-[5-chloro-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 78933151
5-[(5-bromo-2,3-difluorophenoxy)methyl]-3-propyl-1,2,4-oxadiazole
CID 107098700
N-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3-fluorophenyl]methyl]propan-1-amine
CID 107687320
(1S)-1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-fluorophenyl]ethanol
CID 55188832
3-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-5-ethyl-1,2,4-oxadiazole
CID 102674600
5-chloro-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride
CID 82921303

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-2-fluorophenoxy)methyl]-5-ethyl-1,2,4-oxadiazole?
The IUPAC name of 3-[(5-bromo-2-fluorophenoxy)methyl]-5-ethyl-1,2,4-oxadiazole (CID 115918530) is 3-[(5-bromo-2-fluorophenoxy)methyl]-5-ethyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(5-bromo-2-fluorophenoxy)methyl]-5-ethyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[(5-bromo-2-fluorophenoxy)methyl]-5-ethyl-1,2,4-oxadiazole is CCc1nc(COc2cc(Br)ccc2F)no1.
What is the InChIKey of 3-[(5-bromo-2-fluorophenoxy)methyl]-5-ethyl-1,2,4-oxadiazole?
The InChIKey is CVERUDVJKNUBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN2O2/c1-2-11-14-10(15-17-11)6-16-9-5-7(12)3-4-8(9)13/h3-5H,2,6H2,1H3.
What are the key properties of 3-[(5-bromo-2-fluorophenoxy)methyl]-5-ethyl-1,2,4-oxadiazole?
3-[(5-bromo-2-fluorophenoxy)methyl]-5-ethyl-1,2,4-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 3-[(5-bromo-2-fluorophenoxy)methyl]-5-ethyl-1,2,4-oxadiazole is sourced from PubChem (CID 115918530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).