3,5-bis(difluoromethyl)-4H-1,2-oxazol-5-ol

C5H5F4NO2 — CID 132548551

IUPAC3,5-bis(difluoromethyl)-4H-1,2-oxazol-5-ol
SMILESOC1(C(F)F)CC(C(F)F)=NO1
InChIInChI=1S/C5H5F4NO2/c6-3(7)2-1-5(11,4(8)9)12-10-2/h3-4,11H,1H2
InChIKeyXFCZWRSBYRYSNL-UHFFFAOYSA-N
MW187.09 g/mol
LogP0.98
Rot. Bonds2

About 3,5-bis(difluoromethyl)-4H-1,2-oxazol-5-ol

3,5-bis(difluoromethyl)-4H-1,2-oxazol-5-ol (PubChem CID 132548551) has the molecular formula C5H5F4NO2 and a molecular weight of 187.09 g/mol. Its IUPAC name is 3,5-bis(difluoromethyl)-4H-1,2-oxazol-5-ol.

Molecular Properties

Compound Name3,5-bis(difluoromethyl)-4H-1,2-oxazol-5-ol
PubChem CID132548551
Molecular FormulaC5H5F4NO2
Molecular Weight187.09 g/mol
Exact Mass187.03
IUPAC Name3,5-bis(difluoromethyl)-4H-1,2-oxazol-5-ol
SMILESOC1(C(F)F)CC(C(F)F)=NO1
InChIInChI=1S/C5H5F4NO2/c6-3(7)2-1-5(11,4(8)9)12-10-2/h3-4,11H,1H2
InChIKeyXFCZWRSBYRYSNL-UHFFFAOYSA-N
XLogP0.98
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.09
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-Dihydro-5-hydroxy-3-methyl-5-(trifluoromethyl)isoxazole
CID 4218975
5-Hydroxy-3-methyl-5(trifluoromethyl)-1,2-oxazol-4(5h)-one oxime
CID 138756299
3-Ethyl-5-(trifluoromethyl)-2-isoxazolin-5-ol
CID 10058180
5-(2-bromo-1,1,2,2-tetrafluoroethyl)-3-methyl-4H-1,2-oxazol-5-ol
CID 10107682
(5R)-3-methyl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 1402754
(5S)-3-methyl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 1402755
3-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-4H-1,2-oxazol-5-ol
CID 15352260
5-methyl-3-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 43829391
3-(bromomethyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 101210106
5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-methyl-4H-1,2-oxazol-5-ol
CID 134108573
3-[(E)-N-hydroxy-C-methylcarbonimidoyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 177569156

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(difluoromethyl)-4H-1,2-oxazol-5-ol?
The IUPAC name of 3,5-bis(difluoromethyl)-4H-1,2-oxazol-5-ol (CID 132548551) is 3,5-bis(difluoromethyl)-4H-1,2-oxazol-5-ol.
What is the SMILES notation for 3,5-bis(difluoromethyl)-4H-1,2-oxazol-5-ol?
The canonical SMILES for 3,5-bis(difluoromethyl)-4H-1,2-oxazol-5-ol is OC1(C(F)F)CC(C(F)F)=NO1.
What is the InChIKey of 3,5-bis(difluoromethyl)-4H-1,2-oxazol-5-ol?
The InChIKey is XFCZWRSBYRYSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F4NO2/c6-3(7)2-1-5(11,4(8)9)12-10-2/h3-4,11H,1H2.
What are the key properties of 3,5-bis(difluoromethyl)-4H-1,2-oxazol-5-ol?
3,5-bis(difluoromethyl)-4H-1,2-oxazol-5-ol has a molecular weight of 187.09 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(difluoromethyl)-4H-1,2-oxazol-5-ol is sourced from PubChem (CID 132548551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).