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

C11H18F2N2O — CID 169163116

IUPAC2-[4-(difluoromethyl)-5-propan-2-yl-1,3-oxazol-2-yl]-N-methylpropan-2-amine
SMILESCNC(C)(C)c1nc(C(F)F)c(C(C)C)o1
InChIInChI=1S/C11H18F2N2O/c1-6(2)8-7(9(12)13)15-10(16-8)11(3,4)14-5/h6,9,14H,1-5H3
InChIKeyABWQDEJKOWUKRT-UHFFFAOYSA-N
MW232.27 g/mol
LogP3.19
Rot. Bonds4

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

2-[4-(difluoromethyl)-5-propan-2-yl-1,3-oxazol-2-yl]-N-methylpropan-2-amine (PubChem CID 169163116) has the molecular formula C11H18F2N2O and a molecular weight of 232.27 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)-5-propan-2-yl-1,3-oxazol-2-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name2-[4-(difluoromethyl)-5-propan-2-yl-1,3-oxazol-2-yl]-N-methylpropan-2-amine
PubChem CID169163116
Molecular FormulaC11H18F2N2O
Molecular Weight232.27 g/mol
Exact Mass232.14
IUPAC Name2-[4-(difluoromethyl)-5-propan-2-yl-1,3-oxazol-2-yl]-N-methylpropan-2-amine
SMILESCNC(C)(C)c1nc(C(F)F)c(C(C)C)o1
InChIInChI=1S/C11H18F2N2O/c1-6(2)8-7(9(12)13)15-10(16-8)11(3,4)14-5/h6,9,14H,1-5H3
InChIKeyABWQDEJKOWUKRT-UHFFFAOYSA-N
XLogP3.19
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 53.19
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]-N-methylpropan-2-amine?
The IUPAC name of 2-[4-(difluoromethyl)-5-propan-2-yl-1,3-oxazol-2-yl]-N-methylpropan-2-amine (CID 169163116) is 2-[4-(difluoromethyl)-5-propan-2-yl-1,3-oxazol-2-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 2-[4-(difluoromethyl)-5-propan-2-yl-1,3-oxazol-2-yl]-N-methylpropan-2-amine?
The canonical SMILES for 2-[4-(difluoromethyl)-5-propan-2-yl-1,3-oxazol-2-yl]-N-methylpropan-2-amine is CNC(C)(C)c1nc(C(F)F)c(C(C)C)o1.
What is the InChIKey of 2-[4-(difluoromethyl)-5-propan-2-yl-1,3-oxazol-2-yl]-N-methylpropan-2-amine?
The InChIKey is ABWQDEJKOWUKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2O/c1-6(2)8-7(9(12)13)15-10(16-8)11(3,4)14-5/h6,9,14H,1-5H3.
What are the key properties of 2-[4-(difluoromethyl)-5-propan-2-yl-1,3-oxazol-2-yl]-N-methylpropan-2-amine?
2-[4-(difluoromethyl)-5-propan-2-yl-1,3-oxazol-2-yl]-N-methylpropan-2-amine has a molecular weight of 232.27 g/mol, XLogP of 3.19, 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]-N-methylpropan-2-amine is sourced from PubChem (CID 169163116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).