4-(bromomethyl)-2-(difluoromethyl)-1,3-oxazole

C5H4BrF2NO — CID 132992786

IUPAC4-(bromomethyl)-2-(difluoromethyl)-1,3-oxazole
SMILESFC(F)c1nc(CBr)co1
InChIInChI=1S/C5H4BrF2NO/c6-1-3-2-10-5(9-3)4(7)8/h2,4H,1H2
InChIKeyLHDUBLOHWGTTLF-UHFFFAOYSA-N
MW211.99 g/mol
LogP2.51
Rot. Bonds2

About 4-(bromomethyl)-2-(difluoromethyl)-1,3-oxazole

4-(bromomethyl)-2-(difluoromethyl)-1,3-oxazole (PubChem CID 132992786) has the molecular formula C5H4BrF2NO and a molecular weight of 211.99 g/mol. Its IUPAC name is 4-(bromomethyl)-2-(difluoromethyl)-1,3-oxazole.

Molecular Properties

Compound Name4-(bromomethyl)-2-(difluoromethyl)-1,3-oxazole
PubChem CID132992786
Molecular FormulaC5H4BrF2NO
Molecular Weight211.99 g/mol
Exact Mass210.94
IUPAC Name4-(bromomethyl)-2-(difluoromethyl)-1,3-oxazole
SMILESFC(F)c1nc(CBr)co1
InChIInChI=1S/C5H4BrF2NO/c6-1-3-2-10-5(9-3)4(7)8/h2,4H,1H2
InChIKeyLHDUBLOHWGTTLF-UHFFFAOYSA-N
XLogP2.51
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.99
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2,4-Dimethyloxazole
CID 138961
2-Ethyl-4-methyloxazole
CID 528405
4-(Bromomethyl)-2-chlorooxazole
CID 11159912
4-Methyl-2-trifluoroacetyloxazole
CID 18936312
2-Bromo-4-(trifluoromethyl)-1,3-oxazole
CID 72212317
2-(Trifluoromethyl)-1,3-oxazole-4-carbaldehyde
CID 84651999
2-Bromo-4-(difluoromethyl)-1,3-oxazole
CID 84774745
2-Bromo-4-(bromomethyl)oxazole
CID 129956646
Bis(trifluoromethyl)oxazole
CID 129816300
2-(Difluoromethyl)-1,3-oxazole-4-carbaldehyde
CID 84762976
4-(Bromomethyl)-2-(trifluoromethyl)-1,3-oxazole
CID 132992785
4-Methyl-2-(trifluoromethyl)-1,3-oxazole
CID 23568446

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-2-(difluoromethyl)-1,3-oxazole?
The IUPAC name of 4-(bromomethyl)-2-(difluoromethyl)-1,3-oxazole (CID 132992786) is 4-(bromomethyl)-2-(difluoromethyl)-1,3-oxazole.
What is the SMILES notation for 4-(bromomethyl)-2-(difluoromethyl)-1,3-oxazole?
The canonical SMILES for 4-(bromomethyl)-2-(difluoromethyl)-1,3-oxazole is FC(F)c1nc(CBr)co1.
What is the InChIKey of 4-(bromomethyl)-2-(difluoromethyl)-1,3-oxazole?
The InChIKey is LHDUBLOHWGTTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrF2NO/c6-1-3-2-10-5(9-3)4(7)8/h2,4H,1H2.
What are the key properties of 4-(bromomethyl)-2-(difluoromethyl)-1,3-oxazole?
4-(bromomethyl)-2-(difluoromethyl)-1,3-oxazole has a molecular weight of 211.99 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-2-(difluoromethyl)-1,3-oxazole is sourced from PubChem (CID 132992786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).