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

C11H9BrFNO2 — CID 28782461

IUPAC3-[(2-bromo-4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(COc2ccc(F)cc2Br)no1
InChIInChI=1S/C11H9BrFNO2/c1-7-4-9(14-16-7)6-15-11-3-2-8(13)5-10(11)12/h2-5H,6H2,1H3
InChIKeySMZVXNMCVUOFHC-UHFFFAOYSA-N
MW286.10 g/mol
LogP3.46
Rot. Bonds3

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

3-[(2-bromo-4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole (PubChem CID 28782461) has the molecular formula C11H9BrFNO2 and a molecular weight of 286.10 g/mol. Its IUPAC name is 3-[(2-bromo-4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[(2-bromo-4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole
PubChem CID28782461
Molecular FormulaC11H9BrFNO2
Molecular Weight286.10 g/mol
Exact Mass284.98
IUPAC Name3-[(2-bromo-4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(COc2ccc(F)cc2Br)no1
InChIInChI=1S/C11H9BrFNO2/c1-7-4-9(14-16-7)6-15-11-3-2-8(13)5-10(11)12/h2-5H,6H2,1H3
InChIKeySMZVXNMCVUOFHC-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

N-[[3-bromo-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 63046065
3-[(6-bromo-3-pyridinyl)oxymethyl]-5-methyl-1,2-oxazole
CID 103816173
5-methyl-3-[(2,4,6-tribromophenoxy)methyl]-1,2-oxazole
CID 112797269
3-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-5-amine
CID 82080942
3-[(2,5-dichlorophenoxy)methyl]-5-methyl-1,2-oxazole
CID 78807744
3-[(2-ethylphenoxy)methyl]-5-methyl-1,2-oxazole
CID 60673786
[3,5-dibromo-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methanol
CID 107738846
3-chloro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]benzoic acid
CID 45293842
(1R)-1-[4-bromo-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethanol
CID 102948726
4-[(5-methyl-1,2-oxazol-3-yl)methoxy]-3-(trifluoromethyl)benzoic acid
CID 63320749
2-bromo-1-[(4-bromophenyl)methoxy]-4-fluorobenzene
CID 29278100
[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-(2-bromo-4-fluorophenoxy)acetate
CID 8737806

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromo-4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[(2-bromo-4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole (CID 28782461) is 3-[(2-bromo-4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[(2-bromo-4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[(2-bromo-4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole is Cc1cc(COc2ccc(F)cc2Br)no1.
What is the InChIKey of 3-[(2-bromo-4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole?
The InChIKey is SMZVXNMCVUOFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFNO2/c1-7-4-9(14-16-7)6-15-11-3-2-8(13)5-10(11)12/h2-5H,6H2,1H3.
What are the key properties of 3-[(2-bromo-4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole?
3-[(2-bromo-4-fluorophenoxy)methyl]-5-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 3-[(2-bromo-4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 28782461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).