5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-4-methyl-1,3-oxazole;2-tert-butyl-6-methylpyrazine;3-tert-butyl-1-methylpyrazole;4-tert-butyl-2-methylpyrimidine;2-tert-butyl-6-(trifluoromethyl)pyridine

C51H79F3N10O2 — CID 158499348

About 5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-4-methyl-1,3-oxazole;2-tert-butyl-6-methylpyrazine;3-tert-butyl-1-methylpyrazole;4-tert-butyl-2-methylpyrimidine;2-tert-butyl-6-(trifluoromethyl)pyridine

5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-4-methyl-1,3-oxazole;2-tert-butyl-6-methylpyrazine;3-tert-butyl-1-methylpyrazole;4-tert-butyl-2-methylpyrimidine;2-tert-butyl-6-(trifluoromethyl)pyridine (PubChem CID 158499348) has the molecular formula C51H79F3N10O2 and a molecular weight of 921.25 g/mol. Its IUPAC name is 5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-4-methyl-1,3-oxazole;2-tert-butyl-6-methylpyrazine;3-tert-butyl-1-methylpyrazole;4-tert-butyl-2-methylpyrimidine;2-tert-butyl-6-(trifluoromethyl)pyridine.

Molecular Properties

• Compound Name: 5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-4-methyl-1,3-oxazole;2-tert-butyl-6-methylpyrazine;3-tert-butyl-1-methylpyrazole;4-tert-butyl-2-methylpyrimidine;2-tert-butyl-6-(trifluoromethyl)pyridine
• PubChem CID: 158499348
• Molecular Formula: C51H79F3N10O2
• Molecular Weight: 921.25 g/mol
• Exact Mass: 920.63
• IUPAC Name: 5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-4-methyl-1,3-oxazole;2-tert-butyl-6-methylpyrazine;3-tert-butyl-1-methylpyrazole;4-tert-butyl-2-methylpyrimidine;2-tert-butyl-6-(trifluoromethyl)pyridine
• SMILES: CC(C)(C)c1cccc(C(F)(F)F)n1.Cc1cncc(C(C)(C)C)n1.Cc1coc(C(C)(C)C)n1.Cc1nccc(C(C)(C)C)n1.Cc1noc(C(C)(C)C)n1.Cn1ccc(C(C)(C)C)n1
• InChI: InChI=1S/C10H12F3N.2C9H14N2.C8H14N2.C8H13NO.C7H12N2O/c1-9(2,3)7-5-4-6-8(14-7)10(11,12)13;1-7-5-10-6-8(11-7)9(2,3)4;1-7-10-6-5-8(11-7)9(2,3)4;1-8(2,3)7-5-6-10(4)9-7;1-6-5-10-7(9-6)8(2,3)4;1-5-8-6(10-9-5)7(2,3)4/h4-6H,1-3H3;2*5-6H,1-4H3;5-6H,1-4H3;5H,1-4H3;1-4H3
• InChIKey: HJRUWXLTWWSOMJ-UHFFFAOYSA-N
• XLogP: 13.24
• TPSA: 147.22 Ų
• H-Bond Acceptors: 12
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	921.25
LogP ≤ 5	13.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-4-methyl-1,3-oxazole;2-tert-butyl-6-methylpyrazine;3-tert-butyl-1-methylpyrazole;4-tert-butyl-2-methylpyrimidine;2-tert-butyl-6-(trifluoromethyl)pyridine?

The IUPAC name of 5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-4-methyl-1,3-oxazole;2-tert-butyl-6-methylpyrazine;3-tert-butyl-1-methylpyrazole;4-tert-butyl-2-methylpyrimidine;2-tert-butyl-6-(trifluoromethyl)pyridine (CID 158499348) is 5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-4-methyl-1,3-oxazole;2-tert-butyl-6-methylpyrazine;3-tert-butyl-1-methylpyrazole;4-tert-butyl-2-methylpyrimidine;2-tert-butyl-6-(trifluoromethyl)pyridine.

What is the SMILES notation for 5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-4-methyl-1,3-oxazole;2-tert-butyl-6-methylpyrazine;3-tert-butyl-1-methylpyrazole;4-tert-butyl-2-methylpyrimidine;2-tert-butyl-6-(trifluoromethyl)pyridine?

The canonical SMILES for 5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-4-methyl-1,3-oxazole;2-tert-butyl-6-methylpyrazine;3-tert-butyl-1-methylpyrazole;4-tert-butyl-2-methylpyrimidine;2-tert-butyl-6-(trifluoromethyl)pyridine is CC(C)(C)c1cccc(C(F)(F)F)n1.Cc1cncc(C(C)(C)C)n1.Cc1coc(C(C)(C)C)n1.Cc1nccc(C(C)(C)C)n1.Cc1noc(C(C)(C)C)n1.Cn1ccc(C(C)(C)C)n1.

What is the InChIKey of 5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-4-methyl-1,3-oxazole;2-tert-butyl-6-methylpyrazine;3-tert-butyl-1-methylpyrazole;4-tert-butyl-2-methylpyrimidine;2-tert-butyl-6-(trifluoromethyl)pyridine?

The InChIKey is HJRUWXLTWWSOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N.2C9H14N2.C8H14N2.C8H13NO.C7H12N2O/c1-9(2,3)7-5-4-6-8(14-7)10(11,12)13;1-7-5-10-6-8(11-7)9(2,3)4;1-7-10-6-5-8(11-7)9(2,3)4;1-8(2,3)7-5-6-10(4)9-7;1-6-5-10-7(9-6)8(2,3)4;1-5-8-6(10-9-5)7(2,3)4/h4-6H,1-3H3;2*5-6H,1-4H3;5-6H,1-4H3;5H,1-4H3;1-4H3.

What are the key properties of 5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-4-methyl-1,3-oxazole;2-tert-butyl-6-methylpyrazine;3-tert-butyl-1-methylpyrazole;4-tert-butyl-2-methylpyrimidine;2-tert-butyl-6-(trifluoromethyl)pyridine?

5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-4-methyl-1,3-oxazole;2-tert-butyl-6-methylpyrazine;3-tert-butyl-1-methylpyrazole;4-tert-butyl-2-methylpyrimidine;2-tert-butyl-6-(trifluoromethyl)pyridine has a molecular weight of 921.25 g/mol, XLogP of 13.24, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-4-methyl-1,3-oxazole;2-tert-butyl-6-methylpyrazine;3-tert-butyl-1-methylpyrazole;4-tert-butyl-2-methylpyrimidine;2-tert-butyl-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 158499348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).