5-tert-butyl-1H-imidazole;5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole

C60H101N17O4 — CID 159659898

About 5-tert-butyl-1H-imidazole;5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole

5-tert-butyl-1H-imidazole;5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole (PubChem CID 159659898) has the molecular formula C60H101N17O4 and a molecular weight of 1124.58 g/mol. Its IUPAC name is 5-tert-butyl-1H-imidazole;5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole.

Molecular Properties

• Compound Name: 5-tert-butyl-1H-imidazole;5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole
• PubChem CID: 159659898
• Molecular Formula: C60H101N17O4
• Molecular Weight: 1124.58 g/mol
• Exact Mass: 1123.82
• IUPAC Name: 5-tert-butyl-1H-imidazole;5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole
• SMILES: CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cn[nH]n1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1cnco1.CC(C)(C)c1cocn1.CC(C)(C)c1ncco1.CC(C)(C)c1ncn[nH]1.CC(C)(C)c1ncno1.CC(C)(C)n1cccn1
• InChI: InChI=1S/3C7H12N2.3C7H11NO.2C6H11N3.C6H10N2O/c1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-4-8-9-5-6;1-7(2,3)9-6-4-5-8-9;1-7(2,3)6-4-9-5-8-6;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-8-4-5-9-6;1-6(2,3)5-7-4-8-9-5;1-6(2,3)5-4-7-9-8-5;1-6(2,3)5-7-4-8-9-5/h2*4-5H,1-3H3,(H,8,9);4-6H,1-3H3;3*4-5H,1-3H3;2*4H,1-3H3,(H,7,8,9);4H,1-3H3
• InChIKey: MSQYFGFFNGHVKH-UHFFFAOYSA-N
• XLogP: 14.54
• TPSA: 275.33 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1124.58
LogP ≤ 5	14.54
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1H-imidazole;5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole?

The IUPAC name of 5-tert-butyl-1H-imidazole;5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole (CID 159659898) is 5-tert-butyl-1H-imidazole;5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole.

What is the SMILES notation for 5-tert-butyl-1H-imidazole;5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole?

The canonical SMILES for 5-tert-butyl-1H-imidazole;5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole is CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cn[nH]n1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1cnco1.CC(C)(C)c1cocn1.CC(C)(C)c1ncco1.CC(C)(C)c1ncn[nH]1.CC(C)(C)c1ncno1.CC(C)(C)n1cccn1.

What is the InChIKey of 5-tert-butyl-1H-imidazole;5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole?

The InChIKey is MSQYFGFFNGHVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/3C7H12N2.3C7H11NO.2C6H11N3.C6H10N2O/c1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-4-8-9-5-6;1-7(2,3)9-6-4-5-8-9;1-7(2,3)6-4-9-5-8-6;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-8-4-5-9-6;1-6(2,3)5-7-4-8-9-5;1-6(2,3)5-4-7-9-8-5;1-6(2,3)5-7-4-8-9-5/h2*4-5H,1-3H3,(H,8,9);4-6H,1-3H3;3*4-5H,1-3H3;2*4H,1-3H3,(H,7,8,9);4H,1-3H3.

What are the key properties of 5-tert-butyl-1H-imidazole;5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole?

5-tert-butyl-1H-imidazole;5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole has a molecular weight of 1124.58 g/mol, XLogP of 14.54, 0 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-1H-imidazole;5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole is sourced from PubChem (CID 159659898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).