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

C15H12F6N2O3 — CID 10271223

IUPACN-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-1,2-oxazol-3-yl]acetamide
SMILESCC(=O)Nc1noc(C)c1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C15H12F6N2O3/c1-7-11(12(23-26-7)22-8(2)24)9-3-5-10(6-4-9)13(25,14(16,17)18)15(19,20)21/h3-6,25H,1-2H3,(H,22,23,24)
InChIKeyOVZMJEFWUROMSG-UHFFFAOYSA-N
MW382.26 g/mol
LogP3.92
Rot. Bonds3

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

N-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-1,2-oxazol-3-yl]acetamide (PubChem CID 10271223) has the molecular formula C15H12F6N2O3 and a molecular weight of 382.26 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]acetamide.

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]acetamide
PubChem CID10271223
Molecular FormulaC15H12F6N2O3
Molecular Weight382.26 g/mol
Exact Mass382.08
IUPAC NameN-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-1,2-oxazol-3-yl]acetamide
SMILESCC(=O)Nc1noc(C)c1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C15H12F6N2O3/c1-7-11(12(23-26-7)22-8(2)24)9-3-5-10(6-4-9)13(25,14(16,17)18)15(19,20)21/h3-6,25H,1-2H3,(H,22,23,24)
InChIKeyOVZMJEFWUROMSG-UHFFFAOYSA-N
XLogP3.92
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.26
LogP ≤ 53.92
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]acetamide?
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]acetamide (CID 10271223) is N-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-1,2-oxazol-3-yl]acetamide.
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]acetamide?
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]acetamide is CC(=O)Nc1noc(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]acetamide?
The InChIKey is OVZMJEFWUROMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F6N2O3/c1-7-11(12(23-26-7)22-8(2)24)9-3-5-10(6-4-9)13(25,14(16,17)18)15(19,20)21/h3-6,25H,1-2H3,(H,22,23,24).
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]acetamide?
N-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-1,2-oxazol-3-yl]acetamide has a molecular weight of 382.26 g/mol, XLogP of 3.92, 3 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]acetamide is sourced from PubChem (CID 10271223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).