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

C4H2BrF2NO — CID 84774747

IUPAC4-bromo-2-(difluoromethyl)-1,3-oxazole
SMILESFC(F)c1nc(Br)co1
InChIInChI=1S/C4H2BrF2NO/c5-2-1-9-4(8-2)3(6)7/h1,3H
InChIKeyQDHVYBSBRWZMOA-UHFFFAOYSA-N
MW197.97 g/mol
LogP2.37
Rot. Bonds1

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

4-bromo-2-(difluoromethyl)-1,3-oxazole (PubChem CID 84774747) has the molecular formula C4H2BrF2NO and a molecular weight of 197.97 g/mol. Its IUPAC name is 4-bromo-2-(difluoromethyl)-1,3-oxazole.

Molecular Properties

Compound Name4-bromo-2-(difluoromethyl)-1,3-oxazole
PubChem CID84774747
Molecular FormulaC4H2BrF2NO
Molecular Weight197.97 g/mol
Exact Mass196.93
IUPAC Name4-bromo-2-(difluoromethyl)-1,3-oxazole
SMILESFC(F)c1nc(Br)co1
InChIInChI=1S/C4H2BrF2NO/c5-2-1-9-4(8-2)3(6)7/h1,3H
InChIKeyQDHVYBSBRWZMOA-UHFFFAOYSA-N
XLogP2.37
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.97
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(difluoromethyl)-1,3-oxazole?
The IUPAC name of 4-bromo-2-(difluoromethyl)-1,3-oxazole (CID 84774747) is 4-bromo-2-(difluoromethyl)-1,3-oxazole.
What is the SMILES notation for 4-bromo-2-(difluoromethyl)-1,3-oxazole?
The canonical SMILES for 4-bromo-2-(difluoromethyl)-1,3-oxazole is FC(F)c1nc(Br)co1.
What is the InChIKey of 4-bromo-2-(difluoromethyl)-1,3-oxazole?
The InChIKey is QDHVYBSBRWZMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2BrF2NO/c5-2-1-9-4(8-2)3(6)7/h1,3H.
What are the key properties of 4-bromo-2-(difluoromethyl)-1,3-oxazole?
4-bromo-2-(difluoromethyl)-1,3-oxazole has a molecular weight of 197.97 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(difluoromethyl)-1,3-oxazole is sourced from PubChem (CID 84774747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).