2-(2-tert-butyl-1,3-oxazol-4-yl)-3,3-difluorobutan-2-ol

C11H17F2NO2 — CID 135295981

IUPAC2-(2-tert-butyl-1,3-oxazol-4-yl)-3,3-difluorobutan-2-ol
SMILESCC(C)(C)c1nc(C(C)(O)C(C)(F)F)co1
InChIInChI=1S/C11H17F2NO2/c1-9(2,3)8-14-7(6-16-8)10(4,15)11(5,12)13/h6,15H,1-5H3
InChIKeyPUPDXGRQXBOEDN-UHFFFAOYSA-N
MW233.26 g/mol
LogP2.83
Rot. Bonds2

About 2-(2-tert-butyl-1,3-oxazol-4-yl)-3,3-difluorobutan-2-ol

2-(2-tert-butyl-1,3-oxazol-4-yl)-3,3-difluorobutan-2-ol (PubChem CID 135295981) has the molecular formula C11H17F2NO2 and a molecular weight of 233.26 g/mol. Its IUPAC name is 2-(2-tert-butyl-1,3-oxazol-4-yl)-3,3-difluorobutan-2-ol.

Molecular Properties

Compound Name2-(2-tert-butyl-1,3-oxazol-4-yl)-3,3-difluorobutan-2-ol
PubChem CID135295981
Molecular FormulaC11H17F2NO2
Molecular Weight233.26 g/mol
Exact Mass233.12
IUPAC Name2-(2-tert-butyl-1,3-oxazol-4-yl)-3,3-difluorobutan-2-ol
SMILESCC(C)(C)c1nc(C(C)(O)C(C)(F)F)co1
InChIInChI=1S/C11H17F2NO2/c1-9(2,3)8-14-7(6-16-8)10(4,15)11(5,12)13/h6,15H,1-5H3
InChIKeyPUPDXGRQXBOEDN-UHFFFAOYSA-N
XLogP2.83
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-1,3-oxazol-4-yl)-3,3-difluorobutan-2-ol?
The IUPAC name of 2-(2-tert-butyl-1,3-oxazol-4-yl)-3,3-difluorobutan-2-ol (CID 135295981) is 2-(2-tert-butyl-1,3-oxazol-4-yl)-3,3-difluorobutan-2-ol.
What is the SMILES notation for 2-(2-tert-butyl-1,3-oxazol-4-yl)-3,3-difluorobutan-2-ol?
The canonical SMILES for 2-(2-tert-butyl-1,3-oxazol-4-yl)-3,3-difluorobutan-2-ol is CC(C)(C)c1nc(C(C)(O)C(C)(F)F)co1.
What is the InChIKey of 2-(2-tert-butyl-1,3-oxazol-4-yl)-3,3-difluorobutan-2-ol?
The InChIKey is PUPDXGRQXBOEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2NO2/c1-9(2,3)8-14-7(6-16-8)10(4,15)11(5,12)13/h6,15H,1-5H3.
What are the key properties of 2-(2-tert-butyl-1,3-oxazol-4-yl)-3,3-difluorobutan-2-ol?
2-(2-tert-butyl-1,3-oxazol-4-yl)-3,3-difluorobutan-2-ol has a molecular weight of 233.26 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-1,3-oxazol-4-yl)-3,3-difluorobutan-2-ol is sourced from PubChem (CID 135295981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).