1-[4-(difluoromethyl)-5-propan-2-yl-1,3-oxazol-2-yl]-2-methylpropan-2-ol

C11H17F2NO2 — CID 169162993

IUPAC1-[4-(difluoromethyl)-5-propan-2-yl-1,3-oxazol-2-yl]-2-methylpropan-2-ol
SMILESCC(C)c1oc(CC(C)(C)O)nc1C(F)F
InChIInChI=1S/C11H17F2NO2/c1-6(2)9-8(10(12)13)14-7(16-9)5-11(3,4)15/h6,10,15H,5H2,1-4H3
InChIKeyQSEBJNZBLVINIC-UHFFFAOYSA-N
MW233.26 g/mol
LogP3.05
Rot. Bonds4

About 1-[4-(difluoromethyl)-5-propan-2-yl-1,3-oxazol-2-yl]-2-methylpropan-2-ol

1-[4-(difluoromethyl)-5-propan-2-yl-1,3-oxazol-2-yl]-2-methylpropan-2-ol (PubChem CID 169162993) has the molecular formula C11H17F2NO2 and a molecular weight of 233.26 g/mol. Its IUPAC name is 1-[4-(difluoromethyl)-5-propan-2-yl-1,3-oxazol-2-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-(difluoromethyl)-5-propan-2-yl-1,3-oxazol-2-yl]-2-methylpropan-2-ol
PubChem CID169162993
Molecular FormulaC11H17F2NO2
Molecular Weight233.26 g/mol
Exact Mass233.12
IUPAC Name1-[4-(difluoromethyl)-5-propan-2-yl-1,3-oxazol-2-yl]-2-methylpropan-2-ol
SMILESCC(C)c1oc(CC(C)(C)O)nc1C(F)F
InChIInChI=1S/C11H17F2NO2/c1-6(2)9-8(10(12)13)14-7(16-9)5-11(3,4)15/h6,10,15H,5H2,1-4H3
InChIKeyQSEBJNZBLVINIC-UHFFFAOYSA-N
XLogP3.05
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-(difluoromethyl)-5-propan-2-yl-1,3-oxazol-2-yl]-2-methylpropan-2-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-[4-(difluoromethyl)-5-propan-2-yl-1,3-oxazol-2-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-(difluoromethyl)-5-propan-2-yl-1,3-oxazol-2-yl]-2-methylpropan-2-ol (CID 169162993) is 1-[4-(difluoromethyl)-5-propan-2-yl-1,3-oxazol-2-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-(difluoromethyl)-5-propan-2-yl-1,3-oxazol-2-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-(difluoromethyl)-5-propan-2-yl-1,3-oxazol-2-yl]-2-methylpropan-2-ol is CC(C)c1oc(CC(C)(C)O)nc1C(F)F.
What is the InChIKey of 1-[4-(difluoromethyl)-5-propan-2-yl-1,3-oxazol-2-yl]-2-methylpropan-2-ol?
The InChIKey is QSEBJNZBLVINIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2NO2/c1-6(2)9-8(10(12)13)14-7(16-9)5-11(3,4)15/h6,10,15H,5H2,1-4H3.
What are the key properties of 1-[4-(difluoromethyl)-5-propan-2-yl-1,3-oxazol-2-yl]-2-methylpropan-2-ol?
1-[4-(difluoromethyl)-5-propan-2-yl-1,3-oxazol-2-yl]-2-methylpropan-2-ol has a molecular weight of 233.26 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethyl)-5-propan-2-yl-1,3-oxazol-2-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 169162993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).