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

C10H15F2NO2 — CID 135295963

IUPAC1-(2-tert-butyl-1,3-oxazol-4-yl)-2,2-difluoropropan-1-ol
SMILESCC(C)(C)c1nc(C(O)C(C)(F)F)co1
InChIInChI=1S/C10H15F2NO2/c1-9(2,3)8-13-6(5-15-8)7(14)10(4,11)12/h5,7,14H,1-4H3
InChIKeyXJNGOIOIAREVNR-UHFFFAOYSA-N
MW219.23 g/mol
LogP2.66
Rot. Bonds2

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

1-(2-tert-butyl-1,3-oxazol-4-yl)-2,2-difluoropropan-1-ol (PubChem CID 135295963) has the molecular formula C10H15F2NO2 and a molecular weight of 219.23 g/mol. Its IUPAC name is 1-(2-tert-butyl-1,3-oxazol-4-yl)-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name1-(2-tert-butyl-1,3-oxazol-4-yl)-2,2-difluoropropan-1-ol
PubChem CID135295963
Molecular FormulaC10H15F2NO2
Molecular Weight219.23 g/mol
Exact Mass219.11
IUPAC Name1-(2-tert-butyl-1,3-oxazol-4-yl)-2,2-difluoropropan-1-ol
SMILESCC(C)(C)c1nc(C(O)C(C)(F)F)co1
InChIInChI=1S/C10H15F2NO2/c1-9(2,3)8-13-6(5-15-8)7(14)10(4,11)12/h5,7,14H,1-4H3
InChIKeyXJNGOIOIAREVNR-UHFFFAOYSA-N
XLogP2.66
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.23
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-tert-butyl-1,3-oxazol-4-yl)-2,2-difluoropropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-1,3-oxazol-4-yl)-2,2-difluoropropan-1-ol?
The IUPAC name of 1-(2-tert-butyl-1,3-oxazol-4-yl)-2,2-difluoropropan-1-ol (CID 135295963) is 1-(2-tert-butyl-1,3-oxazol-4-yl)-2,2-difluoropropan-1-ol.
What is the SMILES notation for 1-(2-tert-butyl-1,3-oxazol-4-yl)-2,2-difluoropropan-1-ol?
The canonical SMILES for 1-(2-tert-butyl-1,3-oxazol-4-yl)-2,2-difluoropropan-1-ol is CC(C)(C)c1nc(C(O)C(C)(F)F)co1.
What is the InChIKey of 1-(2-tert-butyl-1,3-oxazol-4-yl)-2,2-difluoropropan-1-ol?
The InChIKey is XJNGOIOIAREVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2NO2/c1-9(2,3)8-13-6(5-15-8)7(14)10(4,11)12/h5,7,14H,1-4H3.
What are the key properties of 1-(2-tert-butyl-1,3-oxazol-4-yl)-2,2-difluoropropan-1-ol?
1-(2-tert-butyl-1,3-oxazol-4-yl)-2,2-difluoropropan-1-ol has a molecular weight of 219.23 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-1,3-oxazol-4-yl)-2,2-difluoropropan-1-ol is sourced from PubChem (CID 135295963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).