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

C116H194N34O6S6 — CID 159291082

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

2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3,4-thiadiazole;3-tert-butyl-1,2,4-thiadiazole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;4-tert-butyl-2H-triazole;bis(5-tert-butyl-1H-1,2,4-triazole);5-tert-butyl-4H-triazole (PubChem CID 159291082) has the molecular formula C116H194N34O6S6 and a molecular weight of 2353.46 g/mol. Its IUPAC name is 2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3,4-thiadiazole;3-tert-butyl-1,2,4-thiadiazole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;4-tert-butyl-2H-triazole;bis(5-tert-butyl-1H-1,2,4-triazole);5-tert-butyl-4H-triazole.

Molecular Properties

• Compound Name: 2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3,4-thiadiazole;3-tert-butyl-1,2,4-thiadiazole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;4-tert-butyl-2H-triazole;bis(5-tert-butyl-1H-1,2,4-triazole);5-tert-butyl-4H-triazole
• PubChem CID: 159291082
• Molecular Formula: C116H194N34O6S6
• Molecular Weight: 2353.46 g/mol
• Exact Mass: 2351.42
• IUPAC Name: 2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3,4-thiadiazole;3-tert-butyl-1,2,4-thiadiazole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;4-tert-butyl-2H-triazole;bis(5-tert-butyl-1H-1,2,4-triazole);5-tert-butyl-4H-triazole
• SMILES: CC(C)(C)C1=NN=NC1.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)c1cnco1.CC(C)(C)c1cncs1.CC(C)(C)c1ncco1.CC(C)(C)c1nccs1.CC(C)(C)c1ncn[nH]1.CC(C)(C)c1ncn[nH]1.CC(C)(C)c1ncon1.CC(C)(C)c1ncsn1.CC(C)(C)c1nn[nH]n1.CC(C)(C)c1nnco1.CC(C)(C)c1nncs1
• InChI: InChI=1S/C7H12N2.4C7H11NO.4C7H11NS.4C6H11N3.2C6H10N2O.2C6H10N2S.C5H10N4/c1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-9-8-6;1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-9-8-6;1-7(2,3)6-4-5-8-9-6;2*1-6(2,3)5-7-4-8-9-5;2*1-6(2,3)5-4-7-9-8-5;1-6(2,3)5-8-7-4-9-5;1-6(2,3)5-7-4-9-8-5;1-6(2,3)5-8-7-4-9-5;1-6(2,3)5-7-4-9-8-5;1-5(2,3)4-6-8-9-7-4/h4-5H,1-3H3,(H,8,9);8*4-5H,1-3H3;2*4H,1-3H3,(H,7,8,9);4H2,1-3H3;4H,1-3H3,(H,7,8,9);4*4H,1-3H3;1-3H3,(H,6,7,8,9)
• InChIKey: LADAHVPVDVXXPO-UHFFFAOYSA-N
• XLogP: 31.42
• TPSA: 530.01 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 41
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2353.46
LogP ≤ 5	31.42
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	41

Frequently Asked Questions

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

The IUPAC name of 2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3,4-thiadiazole;3-tert-butyl-1,2,4-thiadiazole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;4-tert-butyl-2H-triazole;bis(5-tert-butyl-1H-1,2,4-triazole);5-tert-butyl-4H-triazole (CID 159291082) is 2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3,4-thiadiazole;3-tert-butyl-1,2,4-thiadiazole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;4-tert-butyl-2H-triazole;bis(5-tert-butyl-1H-1,2,4-triazole);5-tert-butyl-4H-triazole.

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

The canonical SMILES for 2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3,4-thiadiazole;3-tert-butyl-1,2,4-thiadiazole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;4-tert-butyl-2H-triazole;bis(5-tert-butyl-1H-1,2,4-triazole);5-tert-butyl-4H-triazole is CC(C)(C)C1=NN=NC1.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)c1cnco1.CC(C)(C)c1cncs1.CC(C)(C)c1ncco1.CC(C)(C)c1nccs1.CC(C)(C)c1ncn[nH]1.CC(C)(C)c1ncn[nH]1.CC(C)(C)c1ncon1.CC(C)(C)c1ncsn1.CC(C)(C)c1nn[nH]n1.CC(C)(C)c1nnco1.CC(C)(C)c1nncs1.

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

The InChIKey is LADAHVPVDVXXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2.4C7H11NO.4C7H11NS.4C6H11N3.2C6H10N2O.2C6H10N2S.C5H10N4/c1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-9-8-6;1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-9-8-6;1-7(2,3)6-4-5-8-9-6;2*1-6(2,3)5-7-4-8-9-5;2*1-6(2,3)5-4-7-9-8-5;1-6(2,3)5-8-7-4-9-5;1-6(2,3)5-7-4-9-8-5;1-6(2,3)5-8-7-4-9-5;1-6(2,3)5-7-4-9-8-5;1-5(2,3)4-6-8-9-7-4/h4-5H,1-3H3,(H,8,9);8*4-5H,1-3H3;2*4H,1-3H3,(H,7,8,9);4H2,1-3H3;4H,1-3H3,(H,7,8,9);4*4H,1-3H3;1-3H3,(H,6,7,8,9).

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

2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3,4-thiadiazole;3-tert-butyl-1,2,4-thiadiazole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;4-tert-butyl-2H-triazole;bis(5-tert-butyl-1H-1,2,4-triazole);5-tert-butyl-4H-triazole has a molecular weight of 2353.46 g/mol, XLogP of 31.42, 0 rotatable bonds, 5 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3,4-thiadiazole;3-tert-butyl-1,2,4-thiadiazole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;4-tert-butyl-2H-triazole;bis(5-tert-butyl-1H-1,2,4-triazole);5-tert-butyl-4H-triazole is sourced from PubChem (CID 159291082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).