N-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-1,2-oxazol-3-yl]-2-methylpropanamide

C17H16F6N2O3 — CID 10158463

IUPACN-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-1,2-oxazol-3-yl]-2-methylpropanamide
SMILESCc1onc(NC(=O)C(C)C)c1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C17H16F6N2O3/c1-8(2)14(26)24-13-12(9(3)28-25-13)10-4-6-11(7-5-10)15(27,16(18,19)20)17(21,22)23/h4-8,27H,1-3H3,(H,24,25,26)
InChIKeyPLKOFLIKTZZABW-UHFFFAOYSA-N
MW410.31 g/mol
LogP4.56
Rot. Bonds4

About N-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-1,2-oxazol-3-yl]-2-methylpropanamide

N-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-1,2-oxazol-3-yl]-2-methylpropanamide (PubChem CID 10158463) has the molecular formula C17H16F6N2O3 and a molecular weight of 410.31 g/mol. Its IUPAC name is N-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-1,2-oxazol-3-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-1,2-oxazol-3-yl]-2-methylpropanamide
PubChem CID10158463
Molecular FormulaC17H16F6N2O3
Molecular Weight410.31 g/mol
Exact Mass410.11
IUPAC NameN-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-1,2-oxazol-3-yl]-2-methylpropanamide
SMILESCc1onc(NC(=O)C(C)C)c1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C17H16F6N2O3/c1-8(2)14(26)24-13-12(9(3)28-25-13)10-4-6-11(7-5-10)15(27,16(18,19)20)17(21,22)23/h4-8,27H,1-3H3,(H,24,25,26)
InChIKeyPLKOFLIKTZZABW-UHFFFAOYSA-N
XLogP4.56
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.31
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-1,2-oxazol-3-yl]-2-methylpropanamide?
The IUPAC name of N-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-1,2-oxazol-3-yl]-2-methylpropanamide (CID 10158463) is N-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-1,2-oxazol-3-yl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-1,2-oxazol-3-yl]-2-methylpropanamide?
The canonical SMILES for N-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-1,2-oxazol-3-yl]-2-methylpropanamide is Cc1onc(NC(=O)C(C)C)c1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of N-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-1,2-oxazol-3-yl]-2-methylpropanamide?
The InChIKey is PLKOFLIKTZZABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F6N2O3/c1-8(2)14(26)24-13-12(9(3)28-25-13)10-4-6-11(7-5-10)15(27,16(18,19)20)17(21,22)23/h4-8,27H,1-3H3,(H,24,25,26).
What are the key properties of N-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-1,2-oxazol-3-yl]-2-methylpropanamide?
N-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-1,2-oxazol-3-yl]-2-methylpropanamide has a molecular weight of 410.31 g/mol, XLogP of 4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-1,2-oxazol-3-yl]-2-methylpropanamide is sourced from PubChem (CID 10158463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).