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

C12H11BrFNO2 — CID 63997641

IUPAC2-[(4-bromo-3-fluorophenoxy)methyl]-4,5-dimethyl-1,3-oxazole
SMILESCc1nc(COc2ccc(Br)c(F)c2)oc1C
InChIInChI=1S/C12H11BrFNO2/c1-7-8(2)17-12(15-7)6-16-9-3-4-10(13)11(14)5-9/h3-5H,6H2,1-2H3
InChIKeyKSMUBHCCWBIBNK-UHFFFAOYSA-N
MW300.13 g/mol
LogP3.77
Rot. Bonds3

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

2-[(4-bromo-3-fluorophenoxy)methyl]-4,5-dimethyl-1,3-oxazole (PubChem CID 63997641) has the molecular formula C12H11BrFNO2 and a molecular weight of 300.13 g/mol. Its IUPAC name is 2-[(4-bromo-3-fluorophenoxy)methyl]-4,5-dimethyl-1,3-oxazole.

Molecular Properties

Compound Name2-[(4-bromo-3-fluorophenoxy)methyl]-4,5-dimethyl-1,3-oxazole
PubChem CID63997641
Molecular FormulaC12H11BrFNO2
Molecular Weight300.13 g/mol
Exact Mass299.00
IUPAC Name2-[(4-bromo-3-fluorophenoxy)methyl]-4,5-dimethyl-1,3-oxazole
SMILESCc1nc(COc2ccc(Br)c(F)c2)oc1C
InChIInChI=1S/C12H11BrFNO2/c1-7-8(2)17-12(15-7)6-16-9-3-4-10(13)11(14)5-9/h3-5H,6H2,1-2H3
InChIKeyKSMUBHCCWBIBNK-UHFFFAOYSA-N
XLogP3.77
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.13
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-[(4-bromo-3-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 65203605
4-[(4-bromo-3-fluorophenoxy)methyl]-5-methylfuran-2-carboxylic acid
CID 65203374
1-bromo-4-[(3,4-dimethylphenyl)methoxy]-2-fluorobenzene
CID 65202941
N-[[5-[(4-bromo-3-fluorophenoxy)methyl]-2-methylfuran-3-yl]methyl]ethanamine
CID 65201154
1-bromo-2-fluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]benzene
CID 102876842
2-[(3-bromo-4-fluorophenoxy)methyl]-5-ethyl-1,3,4-oxadiazole
CID 83236085
4-[(4-bromo-3-fluorophenoxy)methyl]-3-methylbenzonitrile
CID 114481636
4-[(4-bromo-3-fluorophenoxy)methyl]-3-methylbenzamide
CID 114482373
2-[(4-bromo-3-fluorophenoxy)methyl]-4-(chloromethyl)-1,3-thiazole
CID 65201654
N-[[5-[(4-bromo-3-fluorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine
CID 65200963
1-bromo-4-(2,2-difluoroethoxy)-2-fluorobenzene
CID 65203003
5-[(4-bromo-3-fluorophenoxy)methyl]-1-ethylimidazole
CID 66153948

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-3-fluorophenoxy)methyl]-4,5-dimethyl-1,3-oxazole?
The IUPAC name of 2-[(4-bromo-3-fluorophenoxy)methyl]-4,5-dimethyl-1,3-oxazole (CID 63997641) is 2-[(4-bromo-3-fluorophenoxy)methyl]-4,5-dimethyl-1,3-oxazole.
What is the SMILES notation for 2-[(4-bromo-3-fluorophenoxy)methyl]-4,5-dimethyl-1,3-oxazole?
The canonical SMILES for 2-[(4-bromo-3-fluorophenoxy)methyl]-4,5-dimethyl-1,3-oxazole is Cc1nc(COc2ccc(Br)c(F)c2)oc1C.
What is the InChIKey of 2-[(4-bromo-3-fluorophenoxy)methyl]-4,5-dimethyl-1,3-oxazole?
The InChIKey is KSMUBHCCWBIBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFNO2/c1-7-8(2)17-12(15-7)6-16-9-3-4-10(13)11(14)5-9/h3-5H,6H2,1-2H3.
What are the key properties of 2-[(4-bromo-3-fluorophenoxy)methyl]-4,5-dimethyl-1,3-oxazole?
2-[(4-bromo-3-fluorophenoxy)methyl]-4,5-dimethyl-1,3-oxazole has a molecular weight of 300.13 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-3-fluorophenoxy)methyl]-4,5-dimethyl-1,3-oxazole is sourced from PubChem (CID 63997641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).