4-bromo-2-(fluoromethyl)-1,3-oxazole

C4H3BrFNO — CID 84768075

IUPAC4-bromo-2-(fluoromethyl)-1,3-oxazole
SMILESFCc1nc(Br)co1
InChIInChI=1S/C4H3BrFNO/c5-3-2-8-4(1-6)7-3/h2H,1H2
InChIKeyWXKJHFORHHHKBE-UHFFFAOYSA-N
MW179.98 g/mol
LogP1.91
Rot. Bonds1

About 4-bromo-2-(fluoromethyl)-1,3-oxazole

4-bromo-2-(fluoromethyl)-1,3-oxazole (PubChem CID 84768075) has the molecular formula C4H3BrFNO and a molecular weight of 179.98 g/mol. Its IUPAC name is 4-bromo-2-(fluoromethyl)-1,3-oxazole.

Molecular Properties

Compound Name4-bromo-2-(fluoromethyl)-1,3-oxazole
PubChem CID84768075
Molecular FormulaC4H3BrFNO
Molecular Weight179.98 g/mol
Exact Mass178.94
IUPAC Name4-bromo-2-(fluoromethyl)-1,3-oxazole
SMILESFCc1nc(Br)co1
InChIInChI=1S/C4H3BrFNO/c5-3-2-8-4(1-6)7-3/h2H,1H2
InChIKeyWXKJHFORHHHKBE-UHFFFAOYSA-N
XLogP1.91
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.98
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-Dibromo-1,3-oxazole
CID 84690891
(4-Bromo-1,3-oxazol-2-yl)methanol
CID 67460262
4-Bromo-2-tert-butyl-1,3-oxazole
CID 153449607
Sodium 4-bromooxazole-2-carboxylate
CID 170911819
(4-Bromo-1,3-oxazol-2-yl)methanamine;hydrochloride
CID 171316377
4-Fluoro-2-methyl-1,3-oxazole
CID 58725934
2-Bromo-4-fluoro-1,3-oxazole
CID 173692418
4-Bromo-2-fluoro-1,3-oxazole
CID 173692434
4-Bromo-2-(trifluoromethyl)oxazole
CID 84681484
4-Bromo-2-(difluoromethyl)oxazole
CID 84774747
4-Bromo-2-(2-fluoropropan-2-yl)-1,3-oxazole
CID 84780058
4-Bromo-2-(1,1-difluoroethyl)oxazole
CID 84782184

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(fluoromethyl)-1,3-oxazole?
The IUPAC name of 4-bromo-2-(fluoromethyl)-1,3-oxazole (CID 84768075) is 4-bromo-2-(fluoromethyl)-1,3-oxazole.
What is the SMILES notation for 4-bromo-2-(fluoromethyl)-1,3-oxazole?
The canonical SMILES for 4-bromo-2-(fluoromethyl)-1,3-oxazole is FCc1nc(Br)co1.
What is the InChIKey of 4-bromo-2-(fluoromethyl)-1,3-oxazole?
The InChIKey is WXKJHFORHHHKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3BrFNO/c5-3-2-8-4(1-6)7-3/h2H,1H2.
What are the key properties of 4-bromo-2-(fluoromethyl)-1,3-oxazole?
4-bromo-2-(fluoromethyl)-1,3-oxazole has a molecular weight of 179.98 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(fluoromethyl)-1,3-oxazole is sourced from PubChem (CID 84768075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).