3-tert-butyl-1,2,5-oxadiazole;4-tert-butyl-1,2,3,5-oxatriazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;1-tert-butyltetrazole;bis(5-tert-butyl-2H-tetrazole);3-tert-butyl-1,2-thiazole;4-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;4-tert-butyl-1,2,4-triazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole

C114H194N38O5S5 — CID 160957272

About 3-tert-butyl-1,2,5-oxadiazole;4-tert-butyl-1,2,3,5-oxatriazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;1-tert-butyltetrazole;bis(5-tert-butyl-2H-tetrazole);3-tert-butyl-1,2-thiazole;4-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;4-tert-butyl-1,2,4-triazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole

3-tert-butyl-1,2,5-oxadiazole;4-tert-butyl-1,2,3,5-oxatriazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;1-tert-butyltetrazole;bis(5-tert-butyl-2H-tetrazole);3-tert-butyl-1,2-thiazole;4-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;4-tert-butyl-1,2,4-triazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole (PubChem CID 160957272) has the molecular formula C114H194N38O5S5 and a molecular weight of 2337.40 g/mol. Its IUPAC name is 3-tert-butyl-1,2,5-oxadiazole;4-tert-butyl-1,2,3,5-oxatriazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;1-tert-butyltetrazole;bis(5-tert-butyl-2H-tetrazole);3-tert-butyl-1,2-thiazole;4-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;4-tert-butyl-1,2,4-triazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole.

Molecular Properties

• Compound Name: 3-tert-butyl-1,2,5-oxadiazole;4-tert-butyl-1,2,3,5-oxatriazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;1-tert-butyltetrazole;bis(5-tert-butyl-2H-tetrazole);3-tert-butyl-1,2-thiazole;4-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;4-tert-butyl-1,2,4-triazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole
• PubChem CID: 160957272
• Molecular Formula: C114H194N38O5S5
• Molecular Weight: 2337.40 g/mol
• Exact Mass: 2335.47
• IUPAC Name: 3-tert-butyl-1,2,5-oxadiazole;4-tert-butyl-1,2,3,5-oxatriazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;1-tert-butyltetrazole;bis(5-tert-butyl-2H-tetrazole);3-tert-butyl-1,2-thiazole;4-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;4-tert-butyl-1,2,4-triazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole
• SMILES: CC(C)(C)c1ccn[nH]1.CC(C)(C)c1ccno1.CC(C)(C)c1ccns1.CC(C)(C)c1ccon1.CC(C)(C)c1ccsn1.CC(C)(C)c1cn[nH]n1.CC(C)(C)c1cncs1.CC(C)(C)c1cnoc1.CC(C)(C)c1cnon1.CC(C)(C)c1cnsc1.CC(C)(C)c1cscn1.CC(C)(C)c1ncn[nH]1.CC(C)(C)c1nn[nH]n1.CC(C)(C)c1nn[nH]n1.CC(C)(C)c1nnon1.CC(C)(C)n1cccn1.CC(C)(C)n1cnnc1.CC(C)(C)n1cnnn1
• InChI: InChI=1S/2C7H12N2.3C7H11NO.5C7H11NS.3C6H11N3.C6H10N2O.3C5H10N4.C5H9N3O/c1-7(2,3)9-6-4-5-8-9;1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-4-5-9-8-6;1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-4-9-5-8-6;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-4-5-9-8-6;1-7(2,3)6-4-5-8-9-6;1-6(2,3)9-4-7-8-5-9;1-6(2,3)5-7-4-8-9-5;2*1-6(2,3)5-4-7-9-8-5;1-5(2,3)9-4-6-7-8-9;3*1-5(2,3)4-6-8-9-7-4/h4-6H,1-3H3;4-5H,1-3H3,(H,8,9);9*4-5H,1-3H3;2*4H,1-3H3,(H,7,8,9);2*4H,1-3H3;2*1-3H3,(H,6,7,8,9);1-3H3
• InChIKey: SWOADTDXERURJR-UHFFFAOYSA-N
• XLogP: 28.25
• TPSA: 546.14 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 43
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2337.40
LogP ≤ 5	28.25
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	43

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1,2,5-oxadiazole;4-tert-butyl-1,2,3,5-oxatriazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;1-tert-butyltetrazole;bis(5-tert-butyl-2H-tetrazole);3-tert-butyl-1,2-thiazole;4-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;4-tert-butyl-1,2,4-triazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole?

The IUPAC name of 3-tert-butyl-1,2,5-oxadiazole;4-tert-butyl-1,2,3,5-oxatriazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;1-tert-butyltetrazole;bis(5-tert-butyl-2H-tetrazole);3-tert-butyl-1,2-thiazole;4-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;4-tert-butyl-1,2,4-triazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole (CID 160957272) is 3-tert-butyl-1,2,5-oxadiazole;4-tert-butyl-1,2,3,5-oxatriazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;1-tert-butyltetrazole;bis(5-tert-butyl-2H-tetrazole);3-tert-butyl-1,2-thiazole;4-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;4-tert-butyl-1,2,4-triazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole.

What is the SMILES notation for 3-tert-butyl-1,2,5-oxadiazole;4-tert-butyl-1,2,3,5-oxatriazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;1-tert-butyltetrazole;bis(5-tert-butyl-2H-tetrazole);3-tert-butyl-1,2-thiazole;4-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;4-tert-butyl-1,2,4-triazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole?

The canonical SMILES for 3-tert-butyl-1,2,5-oxadiazole;4-tert-butyl-1,2,3,5-oxatriazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;1-tert-butyltetrazole;bis(5-tert-butyl-2H-tetrazole);3-tert-butyl-1,2-thiazole;4-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;4-tert-butyl-1,2,4-triazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole is CC(C)(C)c1ccn[nH]1.CC(C)(C)c1ccno1.CC(C)(C)c1ccns1.CC(C)(C)c1ccon1.CC(C)(C)c1ccsn1.CC(C)(C)c1cn[nH]n1.CC(C)(C)c1cncs1.CC(C)(C)c1cnoc1.CC(C)(C)c1cnon1.CC(C)(C)c1cnsc1.CC(C)(C)c1cscn1.CC(C)(C)c1ncn[nH]1.CC(C)(C)c1nn[nH]n1.CC(C)(C)c1nn[nH]n1.CC(C)(C)c1nnon1.CC(C)(C)n1cccn1.CC(C)(C)n1cnnc1.CC(C)(C)n1cnnn1.

What is the InChIKey of 3-tert-butyl-1,2,5-oxadiazole;4-tert-butyl-1,2,3,5-oxatriazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;1-tert-butyltetrazole;bis(5-tert-butyl-2H-tetrazole);3-tert-butyl-1,2-thiazole;4-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;4-tert-butyl-1,2,4-triazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole?

The InChIKey is SWOADTDXERURJR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H12N2.3C7H11NO.5C7H11NS.3C6H11N3.C6H10N2O.3C5H10N4.C5H9N3O/c1-7(2,3)9-6-4-5-8-9;1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-4-5-9-8-6;1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-4-9-5-8-6;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-4-5-9-8-6;1-7(2,3)6-4-5-8-9-6;1-6(2,3)9-4-7-8-5-9;1-6(2,3)5-7-4-8-9-5;2*1-6(2,3)5-4-7-9-8-5;1-5(2,3)9-4-6-7-8-9;3*1-5(2,3)4-6-8-9-7-4/h4-6H,1-3H3;4-5H,1-3H3,(H,8,9);9*4-5H,1-3H3;2*4H,1-3H3,(H,7,8,9);2*4H,1-3H3;2*1-3H3,(H,6,7,8,9);1-3H3.

What are the key properties of 3-tert-butyl-1,2,5-oxadiazole;4-tert-butyl-1,2,3,5-oxatriazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;1-tert-butyltetrazole;bis(5-tert-butyl-2H-tetrazole);3-tert-butyl-1,2-thiazole;4-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;4-tert-butyl-1,2,4-triazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole?

3-tert-butyl-1,2,5-oxadiazole;4-tert-butyl-1,2,3,5-oxatriazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;1-tert-butyltetrazole;bis(5-tert-butyl-2H-tetrazole);3-tert-butyl-1,2-thiazole;4-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;4-tert-butyl-1,2,4-triazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole has a molecular weight of 2337.40 g/mol, XLogP of 28.25, 0 rotatable bonds, 5 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 3-tert-butyl-1,2,5-oxadiazole;4-tert-butyl-1,2,3,5-oxatriazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;1-tert-butyltetrazole;bis(5-tert-butyl-2H-tetrazole);3-tert-butyl-1,2-thiazole;4-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;4-tert-butyl-1,2,4-triazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole is sourced from PubChem (CID 160957272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).