1-tert-butylcyclopenta-1,3-diene;2-tert-butylcyclopenta-1,3-diene;5-tert-butyl-4H-imidazole;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-3H-pyrazole;2-tert-butyl-3H-pyrrole;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;4-tert-butyl-2H-triazole;5-tert-butyl-3H-1,2,4-triazole;5-tert-butyl-4H-triazole;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;1-propan-2-ylpyrazole;1-propan-2-yltetrazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole

C139H232N38O6 — CID 158438079

About 1-tert-butylcyclopenta-1,3-diene;2-tert-butylcyclopenta-1,3-diene;5-tert-butyl-4H-imidazole;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-3H-pyrazole;2-tert-butyl-3H-pyrrole;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;4-tert-butyl-2H-triazole;5-tert-butyl-3H-1,2,4-triazole;5-tert-butyl-4H-triazole;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;1-propan-2-ylpyrazole;1-propan-2-yltetrazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole

1-tert-butylcyclopenta-1,3-diene;2-tert-butylcyclopenta-1,3-diene;5-tert-butyl-4H-imidazole;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-3H-pyrazole;2-tert-butyl-3H-pyrrole;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;4-tert-butyl-2H-triazole;5-tert-butyl-3H-1,2,4-triazole;5-tert-butyl-4H-triazole;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;1-propan-2-ylpyrazole;1-propan-2-yltetrazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole (PubChem CID 158438079) has the molecular formula C139H232N38O6 and a molecular weight of 2531.64 g/mol. Its IUPAC name is 1-tert-butylcyclopenta-1,3-diene;2-tert-butylcyclopenta-1,3-diene;5-tert-butyl-4H-imidazole;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-3H-pyrazole;2-tert-butyl-3H-pyrrole;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;4-tert-butyl-2H-triazole;5-tert-butyl-3H-1,2,4-triazole;5-tert-butyl-4H-triazole;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;1-propan-2-ylpyrazole;1-propan-2-yltetrazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole.

Molecular Properties

• Compound Name: 1-tert-butylcyclopenta-1,3-diene;2-tert-butylcyclopenta-1,3-diene;5-tert-butyl-4H-imidazole;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-3H-pyrazole;2-tert-butyl-3H-pyrrole;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;4-tert-butyl-2H-triazole;5-tert-butyl-3H-1,2,4-triazole;5-tert-butyl-4H-triazole;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;1-propan-2-ylpyrazole;1-propan-2-yltetrazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole
• PubChem CID: 158438079
• Molecular Formula: C139H232N38O6
• Molecular Weight: 2531.64 g/mol
• Exact Mass: 2529.90
• IUPAC Name: 1-tert-butylcyclopenta-1,3-diene;2-tert-butylcyclopenta-1,3-diene;5-tert-butyl-4H-imidazole;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-3H-pyrazole;2-tert-butyl-3H-pyrrole;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;4-tert-butyl-2H-triazole;5-tert-butyl-3H-1,2,4-triazole;5-tert-butyl-4H-triazole;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;1-propan-2-ylpyrazole;1-propan-2-yltetrazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole
• SMILES: CC(C)(C)C1=CC=CC1.CC(C)(C)C1=CCC=C1.CC(C)(C)C1=CCC=N1.CC(C)(C)C1=CCN=C1.CC(C)(C)C1=CN=NC1.CC(C)(C)C1=NC=CC1.CC(C)(C)C1=NC=NC1.CC(C)(C)C1=NCC=C1.CC(C)(C)C1=NCN=N1.CC(C)(C)C1=NN=NC1.CC(C)(C)c1cn[nH]n1.CC(C)(C)c1cnco1.CC(C)(C)c1cocn1.CC(C)(C)c1ncco1.CC(C)(C)c1ncon1.CC(C)c1ncno1.CC(C)c1nnco1.CC(C)n1cccn1.CC(C)n1ccnn1.CC(C)n1cncn1.CC(C)n1cnnn1
• InChI: InChI=1S/2C9H14.4C8H13N.2C7H12N2.3C7H11NO.3C6H11N3.C6H10N2O.C6H10N2.2C5H9N3.2C5H8N2O.C4H8N4/c2*1-9(2,3)8-6-4-5-7-8;1-8(2,3)7-4-5-9-6-7;3*1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-4-9-5-8-6;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;2*1-6(2,3)5-4-7-9-8-5;1-6(2,3)5-7-4-9-8-5;1-6(2)8-5-3-4-7-8;1-5(2)8-4-6-3-7-8;1-5(2)8-4-3-6-7-8;1-4(2)5-7-6-3-8-5;1-4(2)5-6-3-7-8-5;1-4(2)8-3-5-6-7-8/h4,6-7H,5H2,1-3H3;4-6H,7H2,1-3H3;4,6H,5H2,1-3H3;5-6H,4H2,1-3H3;4,6H,5H2,1-3H3;4-5H,6H2,1-3H3;5H,4H2,1-3H3;4H,5H2,1-3H3;3*4-5H,1-3H3;2*4H2,1-3H3;4H,1-3H3,(H,7,8,9);4H,1-3H3;3-6H,1-2H3;2*3-5H,1-2H3;3*3-4H,1-2H3
• InChIKey: HCLZDPJKOJJAKS-UHFFFAOYSA-N
• XLogP: 36.52
• TPSA: 532.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 43
• Rotatable Bonds: 6
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2531.64
LogP ≤ 5	36.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	43

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylcyclopenta-1,3-diene;2-tert-butylcyclopenta-1,3-diene;5-tert-butyl-4H-imidazole;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-3H-pyrazole;2-tert-butyl-3H-pyrrole;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;4-tert-butyl-2H-triazole;5-tert-butyl-3H-1,2,4-triazole;5-tert-butyl-4H-triazole;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;1-propan-2-ylpyrazole;1-propan-2-yltetrazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole?

The IUPAC name of 1-tert-butylcyclopenta-1,3-diene;2-tert-butylcyclopenta-1,3-diene;5-tert-butyl-4H-imidazole;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-3H-pyrazole;2-tert-butyl-3H-pyrrole;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;4-tert-butyl-2H-triazole;5-tert-butyl-3H-1,2,4-triazole;5-tert-butyl-4H-triazole;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;1-propan-2-ylpyrazole;1-propan-2-yltetrazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole (CID 158438079) is 1-tert-butylcyclopenta-1,3-diene;2-tert-butylcyclopenta-1,3-diene;5-tert-butyl-4H-imidazole;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-3H-pyrazole;2-tert-butyl-3H-pyrrole;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;4-tert-butyl-2H-triazole;5-tert-butyl-3H-1,2,4-triazole;5-tert-butyl-4H-triazole;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;1-propan-2-ylpyrazole;1-propan-2-yltetrazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole.

What is the SMILES notation for 1-tert-butylcyclopenta-1,3-diene;2-tert-butylcyclopenta-1,3-diene;5-tert-butyl-4H-imidazole;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-3H-pyrazole;2-tert-butyl-3H-pyrrole;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;4-tert-butyl-2H-triazole;5-tert-butyl-3H-1,2,4-triazole;5-tert-butyl-4H-triazole;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;1-propan-2-ylpyrazole;1-propan-2-yltetrazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole?

The canonical SMILES for 1-tert-butylcyclopenta-1,3-diene;2-tert-butylcyclopenta-1,3-diene;5-tert-butyl-4H-imidazole;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-3H-pyrazole;2-tert-butyl-3H-pyrrole;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;4-tert-butyl-2H-triazole;5-tert-butyl-3H-1,2,4-triazole;5-tert-butyl-4H-triazole;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;1-propan-2-ylpyrazole;1-propan-2-yltetrazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole is CC(C)(C)C1=CC=CC1.CC(C)(C)C1=CCC=C1.CC(C)(C)C1=CCC=N1.CC(C)(C)C1=CCN=C1.CC(C)(C)C1=CN=NC1.CC(C)(C)C1=NC=CC1.CC(C)(C)C1=NC=NC1.CC(C)(C)C1=NCC=C1.CC(C)(C)C1=NCN=N1.CC(C)(C)C1=NN=NC1.CC(C)(C)c1cn[nH]n1.CC(C)(C)c1cnco1.CC(C)(C)c1cocn1.CC(C)(C)c1ncco1.CC(C)(C)c1ncon1.CC(C)c1ncno1.CC(C)c1nnco1.CC(C)n1cccn1.CC(C)n1ccnn1.CC(C)n1cncn1.CC(C)n1cnnn1.

What is the InChIKey of 1-tert-butylcyclopenta-1,3-diene;2-tert-butylcyclopenta-1,3-diene;5-tert-butyl-4H-imidazole;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-3H-pyrazole;2-tert-butyl-3H-pyrrole;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;4-tert-butyl-2H-triazole;5-tert-butyl-3H-1,2,4-triazole;5-tert-butyl-4H-triazole;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;1-propan-2-ylpyrazole;1-propan-2-yltetrazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole?

The InChIKey is HCLZDPJKOJJAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H14.4C8H13N.2C7H12N2.3C7H11NO.3C6H11N3.C6H10N2O.C6H10N2.2C5H9N3.2C5H8N2O.C4H8N4/c2*1-9(2,3)8-6-4-5-7-8;1-8(2,3)7-4-5-9-6-7;3*1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-4-9-5-8-6;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;2*1-6(2,3)5-4-7-9-8-5;1-6(2,3)5-7-4-9-8-5;1-6(2)8-5-3-4-7-8;1-5(2)8-4-6-3-7-8;1-5(2)8-4-3-6-7-8;1-4(2)5-7-6-3-8-5;1-4(2)5-6-3-7-8-5;1-4(2)8-3-5-6-7-8/h4,6-7H,5H2,1-3H3;4-6H,7H2,1-3H3;4,6H,5H2,1-3H3;5-6H,4H2,1-3H3;4,6H,5H2,1-3H3;4-5H,6H2,1-3H3;5H,4H2,1-3H3;4H,5H2,1-3H3;3*4-5H,1-3H3;2*4H2,1-3H3;4H,1-3H3,(H,7,8,9);4H,1-3H3;3-6H,1-2H3;2*3-5H,1-2H3;3*3-4H,1-2H3.

What are the key properties of 1-tert-butylcyclopenta-1,3-diene;2-tert-butylcyclopenta-1,3-diene;5-tert-butyl-4H-imidazole;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-3H-pyrazole;2-tert-butyl-3H-pyrrole;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;4-tert-butyl-2H-triazole;5-tert-butyl-3H-1,2,4-triazole;5-tert-butyl-4H-triazole;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;1-propan-2-ylpyrazole;1-propan-2-yltetrazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole?

1-tert-butylcyclopenta-1,3-diene;2-tert-butylcyclopenta-1,3-diene;5-tert-butyl-4H-imidazole;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-3H-pyrazole;2-tert-butyl-3H-pyrrole;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;4-tert-butyl-2H-triazole;5-tert-butyl-3H-1,2,4-triazole;5-tert-butyl-4H-triazole;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;1-propan-2-ylpyrazole;1-propan-2-yltetrazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole has a molecular weight of 2531.64 g/mol, XLogP of 36.52, 6 rotatable bonds, 1 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butylcyclopenta-1,3-diene;2-tert-butylcyclopenta-1,3-diene;5-tert-butyl-4H-imidazole;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-3H-pyrazole;2-tert-butyl-3H-pyrrole;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;4-tert-butyl-2H-triazole;5-tert-butyl-3H-1,2,4-triazole;5-tert-butyl-4H-triazole;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;1-propan-2-ylpyrazole;1-propan-2-yltetrazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole is sourced from PubChem (CID 158438079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).