3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1-propan-2-yl-3-(trifluoromethyl)pyrazole

C15H22F3N3O — CID 159929562

IUPAC3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1-propan-2-yl-3-(trifluoromethyl)pyrazole
SMILESCC(C)n1ccc(C(F)(F)F)n1.Cc1noc(C)c1C(C)C
InChIInChI=1S/C8H13NO.C7H9F3N2/c1-5(2)8-6(3)9-10-7(8)4;1-5(2)12-4-3-6(11-12)7(8,9)10/h5H,1-4H3;3-5H,1-2H3
InChIKeyNZLSLKWSAUOVSP-UHFFFAOYSA-N
MW317.36 g/mol
LogP4.90
Rot. Bonds2

About 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1-propan-2-yl-3-(trifluoromethyl)pyrazole

3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1-propan-2-yl-3-(trifluoromethyl)pyrazole (PubChem CID 159929562) has the molecular formula C15H22F3N3O and a molecular weight of 317.36 g/mol. Its IUPAC name is 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1-propan-2-yl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1-propan-2-yl-3-(trifluoromethyl)pyrazole
PubChem CID159929562
Molecular FormulaC15H22F3N3O
Molecular Weight317.36 g/mol
Exact Mass317.17
IUPAC Name3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1-propan-2-yl-3-(trifluoromethyl)pyrazole
SMILESCC(C)n1ccc(C(F)(F)F)n1.Cc1noc(C)c1C(C)C
InChIInChI=1S/C8H13NO.C7H9F3N2/c1-5(2)8-6(3)9-10-7(8)4;1-5(2)12-4-3-6(11-12)7(8,9)10/h5H,1-4H3;3-5H,1-2H3
InChIKeyNZLSLKWSAUOVSP-UHFFFAOYSA-N
XLogP4.90
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1-propan-2-yl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1-propan-2-yl-3-(trifluoromethyl)pyrazole (CID 159929562) is 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1-propan-2-yl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1-propan-2-yl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1-propan-2-yl-3-(trifluoromethyl)pyrazole is CC(C)n1ccc(C(F)(F)F)n1.Cc1noc(C)c1C(C)C.
What is the InChIKey of 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1-propan-2-yl-3-(trifluoromethyl)pyrazole?
The InChIKey is NZLSLKWSAUOVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO.C7H9F3N2/c1-5(2)8-6(3)9-10-7(8)4;1-5(2)12-4-3-6(11-12)7(8,9)10/h5H,1-4H3;3-5H,1-2H3.
What are the key properties of 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1-propan-2-yl-3-(trifluoromethyl)pyrazole?
3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1-propan-2-yl-3-(trifluoromethyl)pyrazole has a molecular weight of 317.36 g/mol, XLogP of 4.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1-propan-2-yl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 159929562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).