5-tert-butyl-2-[1-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3-oxazole

C13H16F3N3O — CID 71971722

IUPAC5-tert-butyl-2-[1-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3-oxazole
SMILESCC(c1ncc(C(C)(C)C)o1)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C13H16F3N3O/c1-8(11-17-7-10(20-11)12(2,3)4)19-6-5-9(18-19)13(14,15)16/h5-8H,1-4H3
InChIKeyLSTOAAPODWYRNE-UHFFFAOYSA-N
MW287.29 g/mol
LogP3.80
Rot. Bonds2

About 5-tert-butyl-2-[1-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3-oxazole

5-tert-butyl-2-[1-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3-oxazole (PubChem CID 71971722) has the molecular formula C13H16F3N3O and a molecular weight of 287.29 g/mol. Its IUPAC name is 5-tert-butyl-2-[1-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3-oxazole.

Molecular Properties

Compound Name5-tert-butyl-2-[1-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3-oxazole
PubChem CID71971722
Molecular FormulaC13H16F3N3O
Molecular Weight287.29 g/mol
Exact Mass287.12
IUPAC Name5-tert-butyl-2-[1-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3-oxazole
SMILESCC(c1ncc(C(C)(C)C)o1)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C13H16F3N3O/c1-8(11-17-7-10(20-11)12(2,3)4)19-6-5-9(18-19)13(14,15)16/h5-8H,1-4H3
InChIKeyLSTOAAPODWYRNE-UHFFFAOYSA-N
XLogP3.80
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Tert-butyl-2-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-oxazole
CID 53619031
5-Tert-butyl-2-[[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-oxazole
CID 53626867
5-Tert-butyl-2-[[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-oxazole
CID 56780339
N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-N-[1-(2-pyrazol-1-ylethyl)pyrrolidin-3-yl]acetamide
CID 71872495
5-tert-butyl-2-[(1S)-1-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3-oxazole
CID 97056204
3-Methyl-1-(trifluoromethyl)pyrazole;2-(trifluoromethyl)-1,3-oxazole
CID 158007484
N-[1-(5-Tert-butyl-1,3-oxazol-2-YL)ethyl]-1-(2,2-difluoroethyl)pyrazol-4-amine
CID 86791913
N-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrazol-4-amine
CID 86817475
5-tert-butyl-2-[(1R)-1-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3-oxazole
CID 97056205
N-[(1S)-1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrazol-4-amine
CID 99614495
N-[(1R)-1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrazol-4-amine
CID 99614497
N-[(1S)-1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1-(2,2-difluoroethyl)pyrazol-4-amine
CID 99822993

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-[1-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3-oxazole?
The IUPAC name of 5-tert-butyl-2-[1-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3-oxazole (CID 71971722) is 5-tert-butyl-2-[1-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3-oxazole.
What is the SMILES notation for 5-tert-butyl-2-[1-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3-oxazole?
The canonical SMILES for 5-tert-butyl-2-[1-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3-oxazole is CC(c1ncc(C(C)(C)C)o1)n1ccc(C(F)(F)F)n1.
What is the InChIKey of 5-tert-butyl-2-[1-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3-oxazole?
The InChIKey is LSTOAAPODWYRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O/c1-8(11-17-7-10(20-11)12(2,3)4)19-6-5-9(18-19)13(14,15)16/h5-8H,1-4H3.
What are the key properties of 5-tert-butyl-2-[1-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3-oxazole?
5-tert-butyl-2-[1-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3-oxazole has a molecular weight of 287.29 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-[1-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3-oxazole is sourced from PubChem (CID 71971722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).