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

C8H13F2NO2 — CID 15352259

IUPAC3-tert-butyl-5-(difluoromethyl)-4H-1,2-oxazol-5-ol
SMILESCC(C)(C)C1=NOC(O)(C(F)F)C1
InChIInChI=1S/C8H13F2NO2/c1-7(2,3)5-4-8(12,6(9)10)13-11-5/h6,12H,4H2,1-3H3
InChIKeyUWWKTFWXQMBUEZ-UHFFFAOYSA-N
MW193.19 g/mol
LogP1.76
Rot. Bonds1

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

3-tert-butyl-5-(difluoromethyl)-4H-1,2-oxazol-5-ol (PubChem CID 15352259) has the molecular formula C8H13F2NO2 and a molecular weight of 193.19 g/mol. Its IUPAC name is 3-tert-butyl-5-(difluoromethyl)-4H-1,2-oxazol-5-ol.

Molecular Properties

Compound Name3-tert-butyl-5-(difluoromethyl)-4H-1,2-oxazol-5-ol
PubChem CID15352259
Molecular FormulaC8H13F2NO2
Molecular Weight193.19 g/mol
Exact Mass193.09
IUPAC Name3-tert-butyl-5-(difluoromethyl)-4H-1,2-oxazol-5-ol
SMILESCC(C)(C)C1=NOC(O)(C(F)F)C1
InChIInChI=1S/C8H13F2NO2/c1-7(2,3)5-4-8(12,6(9)10)13-11-5/h6,12H,4H2,1-3H3
InChIKeyUWWKTFWXQMBUEZ-UHFFFAOYSA-N
XLogP1.76
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-tert-Butyl-5-trifluoromethyl-4,5-dihydro-isoxazol-5-ol
CID 534772
3-(1-Hydroxy-2-methylpropan-2-yl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-ol
CID 3844794
3-Hexanone, 2,2-dimethyl-5-hydroxy-1,1,1-trifluoro-2-(trifluoromethyl)-, oxime
CID 9588457
3-Ethyl-5-(trifluoromethyl)-2-isoxazolin-5-ol
CID 10058180
3-(2-Methylpropyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-ol
CID 3764740
(5R)-3-(1-hydroxy-2-methylpropan-2-yl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 706093
(5S)-3-(1-hydroxy-2-methylpropan-2-yl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 706096
(5R)-3-(2-methylpropyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 947858
(5S)-3-(2-methylpropyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 947859
(5S)-3-tert-butyl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 7111781
(5R)-3-tert-butyl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 7111782
3-tert-butyl-4,5-dimethyl-4H-1,2-oxazol-5-ol
CID 67885250

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-(difluoromethyl)-4H-1,2-oxazol-5-ol?
The IUPAC name of 3-tert-butyl-5-(difluoromethyl)-4H-1,2-oxazol-5-ol (CID 15352259) is 3-tert-butyl-5-(difluoromethyl)-4H-1,2-oxazol-5-ol.
What is the SMILES notation for 3-tert-butyl-5-(difluoromethyl)-4H-1,2-oxazol-5-ol?
The canonical SMILES for 3-tert-butyl-5-(difluoromethyl)-4H-1,2-oxazol-5-ol is CC(C)(C)C1=NOC(O)(C(F)F)C1.
What is the InChIKey of 3-tert-butyl-5-(difluoromethyl)-4H-1,2-oxazol-5-ol?
The InChIKey is UWWKTFWXQMBUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO2/c1-7(2,3)5-4-8(12,6(9)10)13-11-5/h6,12H,4H2,1-3H3.
What are the key properties of 3-tert-butyl-5-(difluoromethyl)-4H-1,2-oxazol-5-ol?
3-tert-butyl-5-(difluoromethyl)-4H-1,2-oxazol-5-ol has a molecular weight of 193.19 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-(difluoromethyl)-4H-1,2-oxazol-5-ol is sourced from PubChem (CID 15352259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).