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

C13H16F3N3O — CID 97056205

IUPAC5-tert-butyl-2-[(1R)-1-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3-oxazole
SMILESC[C@H](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/t8-/m1/s1
InChIKeyLSTOAAPODWYRNE-MRVPVSSYSA-N
MW287.29 g/mol
LogP3.80
Rot. Bonds2

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

5-tert-butyl-2-[(1R)-1-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3-oxazole (PubChem CID 97056205) has the molecular formula C13H16F3N3O and a molecular weight of 287.29 g/mol. Its IUPAC name is 5-tert-butyl-2-[(1R)-1-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3-oxazole.

Molecular Properties

Compound Name5-tert-butyl-2-[(1R)-1-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3-oxazole
PubChem CID97056205
Molecular FormulaC13H16F3N3O
Molecular Weight287.29 g/mol
Exact Mass287.12
IUPAC Name5-tert-butyl-2-[(1R)-1-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3-oxazole
SMILESC[C@H](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/t8-/m1/s1
InChIKeyLSTOAAPODWYRNE-MRVPVSSYSA-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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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-[(1R)-1-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3-oxazole?
The IUPAC name of 5-tert-butyl-2-[(1R)-1-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3-oxazole (CID 97056205) is 5-tert-butyl-2-[(1R)-1-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3-oxazole.
What is the SMILES notation for 5-tert-butyl-2-[(1R)-1-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3-oxazole?
The canonical SMILES for 5-tert-butyl-2-[(1R)-1-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3-oxazole is C[C@H](c1ncc(C(C)(C)C)o1)n1ccc(C(F)(F)F)n1.
What is the InChIKey of 5-tert-butyl-2-[(1R)-1-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3-oxazole?
The InChIKey is LSTOAAPODWYRNE-MRVPVSSYSA-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/t8-/m1/s1.
What are the key properties of 5-tert-butyl-2-[(1R)-1-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3-oxazole?
5-tert-butyl-2-[(1R)-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-[(1R)-1-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3-oxazole is sourced from PubChem (CID 97056205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).