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

C11H9BrFNO2 — CID 115918504

IUPAC5-[(5-bromo-2-fluorophenoxy)methyl]-3-methyl-1,2-oxazole
SMILESCc1cc(COc2cc(Br)ccc2F)on1
InChIInChI=1S/C11H9BrFNO2/c1-7-4-9(16-14-7)6-15-11-5-8(12)2-3-10(11)13/h2-5H,6H2,1H3
InChIKeyXNXMLUWVKJIVTD-UHFFFAOYSA-N
MW286.10 g/mol
LogP3.46
Rot. Bonds3

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

5-[(5-bromo-2-fluorophenoxy)methyl]-3-methyl-1,2-oxazole (PubChem CID 115918504) has the molecular formula C11H9BrFNO2 and a molecular weight of 286.10 g/mol. Its IUPAC name is 5-[(5-bromo-2-fluorophenoxy)methyl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[(5-bromo-2-fluorophenoxy)methyl]-3-methyl-1,2-oxazole
PubChem CID115918504
Molecular FormulaC11H9BrFNO2
Molecular Weight286.10 g/mol
Exact Mass284.98
IUPAC Name5-[(5-bromo-2-fluorophenoxy)methyl]-3-methyl-1,2-oxazole
SMILESCc1cc(COc2cc(Br)ccc2F)on1
InChIInChI=1S/C11H9BrFNO2/c1-7-4-9(16-14-7)6-15-11-5-8(12)2-3-10(11)13/h2-5H,6H2,1H3
InChIKeyXNXMLUWVKJIVTD-UHFFFAOYSA-N
XLogP3.46
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.10
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-bromo-2-fluorophenoxy)methyl]-5-(methoxymethyl)-1,2-oxazole
CID 114672579
5-[(4-bromo-2-propan-2-ylphenoxy)methyl]-3-methyl-1,2-oxazole
CID 115401922
(1R)-1-[5-bromo-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanol
CID 63365820
(1R)-1-[5-bromo-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine
CID 55189227
3-methyl-5-[[2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]methyl]-1,2-oxazole
CID 2192631
N-[1-[4-bromo-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethyl]propan-1-amine
CID 102947838
3-[(5-bromo-2-fluorophenoxy)methyl]-5-ethyl-1,2,4-oxadiazole
CID 115918530
N-[[5-bromo-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 63056849
2-[5-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine
CID 107700392
[3-bromo-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methanamine
CID 63044789
2-[(5-bromo-2-fluorophenoxy)methyl]-4-chloro-6-methylpyrimidine
CID 114672189
5-[(3-fluorophenoxy)methyl]-3-methyl-1,2-oxazole
CID 60681199

Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromo-2-fluorophenoxy)methyl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[(5-bromo-2-fluorophenoxy)methyl]-3-methyl-1,2-oxazole (CID 115918504) is 5-[(5-bromo-2-fluorophenoxy)methyl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[(5-bromo-2-fluorophenoxy)methyl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[(5-bromo-2-fluorophenoxy)methyl]-3-methyl-1,2-oxazole is Cc1cc(COc2cc(Br)ccc2F)on1.
What is the InChIKey of 5-[(5-bromo-2-fluorophenoxy)methyl]-3-methyl-1,2-oxazole?
The InChIKey is XNXMLUWVKJIVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFNO2/c1-7-4-9(16-14-7)6-15-11-5-8(12)2-3-10(11)13/h2-5H,6H2,1H3.
What are the key properties of 5-[(5-bromo-2-fluorophenoxy)methyl]-3-methyl-1,2-oxazole?
5-[(5-bromo-2-fluorophenoxy)methyl]-3-methyl-1,2-oxazole has a molecular weight of 286.10 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromo-2-fluorophenoxy)methyl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 115918504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).