5-tert-butyl-3-methoxy-1,2-oxazole;1-tert-butyl-4-methoxypyrazole;5-tert-butyl-3-methyl-1,2-oxazole;1-tert-butyl-4-methylpyrazole;1-tert-butyl-4-phenoxypyrazole;tris(1-tert-butyl-4-phenylpyrazole);2-(1-tert-butylpyrazol-4-yl)pyridine

C96H133N17O5 — CID 158411179

About 5-tert-butyl-3-methoxy-1,2-oxazole;1-tert-butyl-4-methoxypyrazole;5-tert-butyl-3-methyl-1,2-oxazole;1-tert-butyl-4-methylpyrazole;1-tert-butyl-4-phenoxypyrazole;tris(1-tert-butyl-4-phenylpyrazole);2-(1-tert-butylpyrazol-4-yl)pyridine

5-tert-butyl-3-methoxy-1,2-oxazole;1-tert-butyl-4-methoxypyrazole;5-tert-butyl-3-methyl-1,2-oxazole;1-tert-butyl-4-methylpyrazole;1-tert-butyl-4-phenoxypyrazole;tris(1-tert-butyl-4-phenylpyrazole);2-(1-tert-butylpyrazol-4-yl)pyridine (PubChem CID 158411179) has the molecular formula C96H133N17O5 and a molecular weight of 1605.23 g/mol. Its IUPAC name is 5-tert-butyl-3-methoxy-1,2-oxazole;1-tert-butyl-4-methoxypyrazole;5-tert-butyl-3-methyl-1,2-oxazole;1-tert-butyl-4-methylpyrazole;1-tert-butyl-4-phenoxypyrazole;tris(1-tert-butyl-4-phenylpyrazole);2-(1-tert-butylpyrazol-4-yl)pyridine.

Molecular Properties

• Compound Name: 5-tert-butyl-3-methoxy-1,2-oxazole;1-tert-butyl-4-methoxypyrazole;5-tert-butyl-3-methyl-1,2-oxazole;1-tert-butyl-4-methylpyrazole;1-tert-butyl-4-phenoxypyrazole;tris(1-tert-butyl-4-phenylpyrazole);2-(1-tert-butylpyrazol-4-yl)pyridine
• PubChem CID: 158411179
• Molecular Formula: C96H133N17O5
• Molecular Weight: 1605.23 g/mol
• Exact Mass: 1604.07
• IUPAC Name: 5-tert-butyl-3-methoxy-1,2-oxazole;1-tert-butyl-4-methoxypyrazole;5-tert-butyl-3-methyl-1,2-oxazole;1-tert-butyl-4-methylpyrazole;1-tert-butyl-4-phenoxypyrazole;tris(1-tert-butyl-4-phenylpyrazole);2-(1-tert-butylpyrazol-4-yl)pyridine
• SMILES: CC(C)(C)n1cc(-c2ccccc2)cn1.CC(C)(C)n1cc(-c2ccccc2)cn1.CC(C)(C)n1cc(-c2ccccc2)cn1.CC(C)(C)n1cc(-c2ccccn2)cn1.CC(C)(C)n1cc(Oc2ccccc2)cn1.COc1cc(C(C)(C)C)on1.COc1cnn(C(C)(C)C)c1.Cc1cc(C(C)(C)C)on1.Cc1cnn(C(C)(C)C)c1
• InChI: InChI=1S/C13H16N2O.3C13H16N2.C12H15N3.C8H14N2O.C8H14N2.C8H13NO2.C8H13NO/c1-13(2,3)15-10-12(9-14-15)16-11-7-5-4-6-8-11;3*1-13(2,3)15-10-12(9-14-15)11-7-5-4-6-8-11;1-12(2,3)15-9-10(8-14-15)11-6-4-5-7-13-11;1-8(2,3)10-6-7(11-4)5-9-10;1-7-5-9-10(6-7)8(2,3)4;1-8(2,3)6-5-7(10-4)9-11-6;1-6-5-7(10-9-6)8(2,3)4/h4-10H,1-3H3;3*4-10H,1-3H3;4-9H,1-3H3;5-6H,1-4H3;5-6H,1-4H3;5H,1-4H3;5H,1-4H3
• InChIKey: GZIGFJWFZSSGHD-UHFFFAOYSA-N
• XLogP: 23.90
• TPSA: 217.38 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 8
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1605.23
LogP ≤ 5	23.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-methoxy-1,2-oxazole;1-tert-butyl-4-methoxypyrazole;5-tert-butyl-3-methyl-1,2-oxazole;1-tert-butyl-4-methylpyrazole;1-tert-butyl-4-phenoxypyrazole;tris(1-tert-butyl-4-phenylpyrazole);2-(1-tert-butylpyrazol-4-yl)pyridine?

The IUPAC name of 5-tert-butyl-3-methoxy-1,2-oxazole;1-tert-butyl-4-methoxypyrazole;5-tert-butyl-3-methyl-1,2-oxazole;1-tert-butyl-4-methylpyrazole;1-tert-butyl-4-phenoxypyrazole;tris(1-tert-butyl-4-phenylpyrazole);2-(1-tert-butylpyrazol-4-yl)pyridine (CID 158411179) is 5-tert-butyl-3-methoxy-1,2-oxazole;1-tert-butyl-4-methoxypyrazole;5-tert-butyl-3-methyl-1,2-oxazole;1-tert-butyl-4-methylpyrazole;1-tert-butyl-4-phenoxypyrazole;tris(1-tert-butyl-4-phenylpyrazole);2-(1-tert-butylpyrazol-4-yl)pyridine.

What is the SMILES notation for 5-tert-butyl-3-methoxy-1,2-oxazole;1-tert-butyl-4-methoxypyrazole;5-tert-butyl-3-methyl-1,2-oxazole;1-tert-butyl-4-methylpyrazole;1-tert-butyl-4-phenoxypyrazole;tris(1-tert-butyl-4-phenylpyrazole);2-(1-tert-butylpyrazol-4-yl)pyridine?

The canonical SMILES for 5-tert-butyl-3-methoxy-1,2-oxazole;1-tert-butyl-4-methoxypyrazole;5-tert-butyl-3-methyl-1,2-oxazole;1-tert-butyl-4-methylpyrazole;1-tert-butyl-4-phenoxypyrazole;tris(1-tert-butyl-4-phenylpyrazole);2-(1-tert-butylpyrazol-4-yl)pyridine is CC(C)(C)n1cc(-c2ccccc2)cn1.CC(C)(C)n1cc(-c2ccccc2)cn1.CC(C)(C)n1cc(-c2ccccc2)cn1.CC(C)(C)n1cc(-c2ccccn2)cn1.CC(C)(C)n1cc(Oc2ccccc2)cn1.COc1cc(C(C)(C)C)on1.COc1cnn(C(C)(C)C)c1.Cc1cc(C(C)(C)C)on1.Cc1cnn(C(C)(C)C)c1.

What is the InChIKey of 5-tert-butyl-3-methoxy-1,2-oxazole;1-tert-butyl-4-methoxypyrazole;5-tert-butyl-3-methyl-1,2-oxazole;1-tert-butyl-4-methylpyrazole;1-tert-butyl-4-phenoxypyrazole;tris(1-tert-butyl-4-phenylpyrazole);2-(1-tert-butylpyrazol-4-yl)pyridine?

The InChIKey is GZIGFJWFZSSGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O.3C13H16N2.C12H15N3.C8H14N2O.C8H14N2.C8H13NO2.C8H13NO/c1-13(2,3)15-10-12(9-14-15)16-11-7-5-4-6-8-11;3*1-13(2,3)15-10-12(9-14-15)11-7-5-4-6-8-11;1-12(2,3)15-9-10(8-14-15)11-6-4-5-7-13-11;1-8(2,3)10-6-7(11-4)5-9-10;1-7-5-9-10(6-7)8(2,3)4;1-8(2,3)6-5-7(10-4)9-11-6;1-6-5-7(10-9-6)8(2,3)4/h4-10H,1-3H3;3*4-10H,1-3H3;4-9H,1-3H3;5-6H,1-4H3;5-6H,1-4H3;5H,1-4H3;5H,1-4H3.

What are the key properties of 5-tert-butyl-3-methoxy-1,2-oxazole;1-tert-butyl-4-methoxypyrazole;5-tert-butyl-3-methyl-1,2-oxazole;1-tert-butyl-4-methylpyrazole;1-tert-butyl-4-phenoxypyrazole;tris(1-tert-butyl-4-phenylpyrazole);2-(1-tert-butylpyrazol-4-yl)pyridine?

5-tert-butyl-3-methoxy-1,2-oxazole;1-tert-butyl-4-methoxypyrazole;5-tert-butyl-3-methyl-1,2-oxazole;1-tert-butyl-4-methylpyrazole;1-tert-butyl-4-phenoxypyrazole;tris(1-tert-butyl-4-phenylpyrazole);2-(1-tert-butylpyrazol-4-yl)pyridine has a molecular weight of 1605.23 g/mol, XLogP of 23.90, 8 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-3-methoxy-1,2-oxazole;1-tert-butyl-4-methoxypyrazole;5-tert-butyl-3-methyl-1,2-oxazole;1-tert-butyl-4-methylpyrazole;1-tert-butyl-4-phenoxypyrazole;tris(1-tert-butyl-4-phenylpyrazole);2-(1-tert-butylpyrazol-4-yl)pyridine is sourced from PubChem (CID 158411179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).