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

C11H17F2NO2 — CID 169162758

IUPAC2-[4-(difluoromethyl)-5-propan-2-yl-1,3-oxazol-2-yl]-2-methylpropan-1-ol
SMILESCC(C)c1oc(C(C)(C)CO)nc1C(F)F
InChIInChI=1S/C11H17F2NO2/c1-6(2)8-7(9(12)13)14-10(16-8)11(3,4)5-15/h6,9,15H,5H2,1-4H3
InChIKeyZGRLIQKSBITXCI-UHFFFAOYSA-N
MW233.26 g/mol
LogP3.01
Rot. Bonds4

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

2-[4-(difluoromethyl)-5-propan-2-yl-1,3-oxazol-2-yl]-2-methylpropan-1-ol (PubChem CID 169162758) has the molecular formula C11H17F2NO2 and a molecular weight of 233.26 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)-5-propan-2-yl-1,3-oxazol-2-yl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[4-(difluoromethyl)-5-propan-2-yl-1,3-oxazol-2-yl]-2-methylpropan-1-ol
PubChem CID169162758
Molecular FormulaC11H17F2NO2
Molecular Weight233.26 g/mol
Exact Mass233.12
IUPAC Name2-[4-(difluoromethyl)-5-propan-2-yl-1,3-oxazol-2-yl]-2-methylpropan-1-ol
SMILESCC(C)c1oc(C(C)(C)CO)nc1C(F)F
InChIInChI=1S/C11H17F2NO2/c1-6(2)8-7(9(12)13)14-10(16-8)11(3,4)5-15/h6,9,15H,5H2,1-4H3
InChIKeyZGRLIQKSBITXCI-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)-5-propan-2-yl-1,3-oxazol-2-yl]-2-methylpropan-1-ol?
The IUPAC name of 2-[4-(difluoromethyl)-5-propan-2-yl-1,3-oxazol-2-yl]-2-methylpropan-1-ol (CID 169162758) is 2-[4-(difluoromethyl)-5-propan-2-yl-1,3-oxazol-2-yl]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[4-(difluoromethyl)-5-propan-2-yl-1,3-oxazol-2-yl]-2-methylpropan-1-ol?
The canonical SMILES for 2-[4-(difluoromethyl)-5-propan-2-yl-1,3-oxazol-2-yl]-2-methylpropan-1-ol is CC(C)c1oc(C(C)(C)CO)nc1C(F)F.
What is the InChIKey of 2-[4-(difluoromethyl)-5-propan-2-yl-1,3-oxazol-2-yl]-2-methylpropan-1-ol?
The InChIKey is ZGRLIQKSBITXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2NO2/c1-6(2)8-7(9(12)13)14-10(16-8)11(3,4)5-15/h6,9,15H,5H2,1-4H3.
What are the key properties of 2-[4-(difluoromethyl)-5-propan-2-yl-1,3-oxazol-2-yl]-2-methylpropan-1-ol?
2-[4-(difluoromethyl)-5-propan-2-yl-1,3-oxazol-2-yl]-2-methylpropan-1-ol has a molecular weight of 233.26 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)-5-propan-2-yl-1,3-oxazol-2-yl]-2-methylpropan-1-ol is sourced from PubChem (CID 169162758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).