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;bis(5-tert-butyl-2H-tetrazole);1-tert-butyl-2H-tetrazol-1-ium;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,2-thiazole;4-tert-butyl-1,2,4-triazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole

C100H173N36O5S3+ — CID 159368160

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;bis(5-tert-butyl-2H-tetrazole);1-tert-butyl-2H-tetrazol-1-ium;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,2-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;bis(5-tert-butyl-2H-tetrazole);1-tert-butyl-2H-tetrazol-1-ium;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,2-thiazole;4-tert-butyl-1,2,4-triazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole (PubChem CID 159368160) has the molecular formula C100H173N36O5S3+ and a molecular weight of 2055.93 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;bis(5-tert-butyl-2H-tetrazole);1-tert-butyl-2H-tetrazol-1-ium;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,2-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;bis(5-tert-butyl-2H-tetrazole);1-tert-butyl-2H-tetrazol-1-ium;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,2-thiazole;4-tert-butyl-1,2,4-triazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole
• PubChem CID: 159368160
• Molecular Formula: C100H173N36O5S3+
• Molecular Weight: 2055.93 g/mol
• Exact Mass: 2054.35
• 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;bis(5-tert-butyl-2H-tetrazole);1-tert-butyl-2H-tetrazol-1-ium;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,2-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)[n+]1cnn[nH]1.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)c1cnoc1.CC(C)(C)c1cnon1.CC(C)(C)c1cnsc1.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
• InChI: InChI=1S/2C7H12N2.3C7H11NO.3C7H11NS.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)6-4-8-9-5-6;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);7*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/p+1
• InChIKey: NNYBOCZUHUHVGA-UHFFFAOYSA-O
• XLogP: 22.79
• TPSA: 522.21 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 37
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2055.93
LogP ≤ 5	22.79
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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;bis(5-tert-butyl-2H-tetrazole);1-tert-butyl-2H-tetrazol-1-ium;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,2-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;bis(5-tert-butyl-2H-tetrazole);1-tert-butyl-2H-tetrazol-1-ium;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,2-thiazole;4-tert-butyl-1,2,4-triazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole (CID 159368160) 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;bis(5-tert-butyl-2H-tetrazole);1-tert-butyl-2H-tetrazol-1-ium;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,2-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;bis(5-tert-butyl-2H-tetrazole);1-tert-butyl-2H-tetrazol-1-ium;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,2-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;bis(5-tert-butyl-2H-tetrazole);1-tert-butyl-2H-tetrazol-1-ium;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,2-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)[n+]1cnn[nH]1.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)c1cnoc1.CC(C)(C)c1cnon1.CC(C)(C)c1cnsc1.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.

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;bis(5-tert-butyl-2H-tetrazole);1-tert-butyl-2H-tetrazol-1-ium;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,2-thiazole;4-tert-butyl-1,2,4-triazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole?

The InChIKey is NNYBOCZUHUHVGA-UHFFFAOYSA-O. The full InChI is InChI=1S/2C7H12N2.3C7H11NO.3C7H11NS.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)6-4-8-9-5-6;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);7*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/p+1.

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;bis(5-tert-butyl-2H-tetrazole);1-tert-butyl-2H-tetrazol-1-ium;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,2-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;bis(5-tert-butyl-2H-tetrazole);1-tert-butyl-2H-tetrazol-1-ium;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,2-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 2055.93 g/mol, XLogP of 22.79, 0 rotatable bonds, 6 hydrogen bond donors, and 37 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;bis(5-tert-butyl-2H-tetrazole);1-tert-butyl-2H-tetrazol-1-ium;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,2-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 159368160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).