2-tert-butylfuran;5-tert-butyl-1H-imidazole;2-tert-butyl-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;3-tert-butyl-1-methylpyrazole;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;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;4-tert-butyl-2H-triazole;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole

C145H239N27O7S6 — CID 157274474

About 2-tert-butylfuran;5-tert-butyl-1H-imidazole;2-tert-butyl-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;3-tert-butyl-1-methylpyrazole;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;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;4-tert-butyl-2H-triazole;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole

2-tert-butylfuran;5-tert-butyl-1H-imidazole;2-tert-butyl-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;3-tert-butyl-1-methylpyrazole;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;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;4-tert-butyl-2H-triazole;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole (PubChem CID 157274474) has the molecular formula C145H239N27O7S6 and a molecular weight of 2665.09 g/mol. Its IUPAC name is 2-tert-butylfuran;5-tert-butyl-1H-imidazole;2-tert-butyl-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;3-tert-butyl-1-methylpyrazole;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;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;4-tert-butyl-2H-triazole;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole.

Molecular Properties

• Compound Name: 2-tert-butylfuran;5-tert-butyl-1H-imidazole;2-tert-butyl-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;3-tert-butyl-1-methylpyrazole;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;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;4-tert-butyl-2H-triazole;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole
• PubChem CID: 157274474
• Molecular Formula: C145H239N27O7S6
• Molecular Weight: 2665.09 g/mol
• Exact Mass: 2662.75
• IUPAC Name: 2-tert-butylfuran;5-tert-butyl-1H-imidazole;2-tert-butyl-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;3-tert-butyl-1-methylpyrazole;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;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;4-tert-butyl-2H-triazole;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole
• SMILES: CC(C)(C)c1ccco1.CC(C)(C)c1cccs1.CC(C)(C)c1ccn(C(C)(C)C)n1.CC(C)(C)c1ccno1.CC(C)(C)c1ccns1.CC(C)(C)c1ccon1.CC(C)(C)c1ccsc1.CC(C)(C)c1cn[nH]n1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1cnco1.CC(C)(C)c1cncs1.CC(C)(C)c1cnn(C(C)(C)C)c1.CC(C)(C)c1ncco1.CC(C)(C)c1nccs1.CC(C)(C)c1ncon1.CC(C)(C)c1nnco1.CC(C)(C)c1nncs1.CN1CCn2nc(C(C)(C)C)cc2C1.Cn1ccc(C(C)(C)C)n1
• InChI: InChI=1S/C11H19N3.2C11H20N2.C8H14N2.C8H12O.2C8H12S.C7H12N2.4C7H11NO.3C7H11NS.C6H11N3.2C6H10N2O.C6H10N2S/c1-11(2,3)10-7-9-8-13(4)5-6-14(9)12-10;1-10(2,3)9-7-12-13(8-9)11(4,5)6;1-10(2,3)9-7-8-13(12-9)11(4,5)6;1-8(2,3)7-5-6-10(4)9-7;1-8(2,3)7-5-4-6-9-7;1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;2*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)6-4-5-8-9-6;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/h7H,5-6,8H2,1-4H3;2*7-8H,1-6H3;5-6H,1-4H3;3*4-6H,1-3H3;4-5H,1-3H3,(H,8,9);7*4-5H,1-3H3;4H,1-3H3,(H,7,8,9);3*4H,1-3H3
• InChIKey: AYXUERLHIOUOFQ-UHFFFAOYSA-N
• XLogP: 40.47
• TPSA: 404.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 38
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2665.09
LogP ≤ 5	40.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylfuran;5-tert-butyl-1H-imidazole;2-tert-butyl-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;3-tert-butyl-1-methylpyrazole;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;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;4-tert-butyl-2H-triazole;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole?

The IUPAC name of 2-tert-butylfuran;5-tert-butyl-1H-imidazole;2-tert-butyl-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;3-tert-butyl-1-methylpyrazole;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;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;4-tert-butyl-2H-triazole;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole (CID 157274474) is 2-tert-butylfuran;5-tert-butyl-1H-imidazole;2-tert-butyl-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;3-tert-butyl-1-methylpyrazole;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;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;4-tert-butyl-2H-triazole;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole.

What is the SMILES notation for 2-tert-butylfuran;5-tert-butyl-1H-imidazole;2-tert-butyl-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;3-tert-butyl-1-methylpyrazole;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;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;4-tert-butyl-2H-triazole;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole?

The canonical SMILES for 2-tert-butylfuran;5-tert-butyl-1H-imidazole;2-tert-butyl-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;3-tert-butyl-1-methylpyrazole;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;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;4-tert-butyl-2H-triazole;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole is CC(C)(C)c1ccco1.CC(C)(C)c1cccs1.CC(C)(C)c1ccn(C(C)(C)C)n1.CC(C)(C)c1ccno1.CC(C)(C)c1ccns1.CC(C)(C)c1ccon1.CC(C)(C)c1ccsc1.CC(C)(C)c1cn[nH]n1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1cnco1.CC(C)(C)c1cncs1.CC(C)(C)c1cnn(C(C)(C)C)c1.CC(C)(C)c1ncco1.CC(C)(C)c1nccs1.CC(C)(C)c1ncon1.CC(C)(C)c1nnco1.CC(C)(C)c1nncs1.CN1CCn2nc(C(C)(C)C)cc2C1.Cn1ccc(C(C)(C)C)n1.

What is the InChIKey of 2-tert-butylfuran;5-tert-butyl-1H-imidazole;2-tert-butyl-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;3-tert-butyl-1-methylpyrazole;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;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;4-tert-butyl-2H-triazole;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole?

The InChIKey is AYXUERLHIOUOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3.2C11H20N2.C8H14N2.C8H12O.2C8H12S.C7H12N2.4C7H11NO.3C7H11NS.C6H11N3.2C6H10N2O.C6H10N2S/c1-11(2,3)10-7-9-8-13(4)5-6-14(9)12-10;1-10(2,3)9-7-12-13(8-9)11(4,5)6;1-10(2,3)9-7-8-13(12-9)11(4,5)6;1-8(2,3)7-5-6-10(4)9-7;1-8(2,3)7-5-4-6-9-7;1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;2*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)6-4-5-8-9-6;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/h7H,5-6,8H2,1-4H3;2*7-8H,1-6H3;5-6H,1-4H3;3*4-6H,1-3H3;4-5H,1-3H3,(H,8,9);7*4-5H,1-3H3;4H,1-3H3,(H,7,8,9);3*4H,1-3H3.

What are the key properties of 2-tert-butylfuran;5-tert-butyl-1H-imidazole;2-tert-butyl-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;3-tert-butyl-1-methylpyrazole;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;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;4-tert-butyl-2H-triazole;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole?

2-tert-butylfuran;5-tert-butyl-1H-imidazole;2-tert-butyl-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;3-tert-butyl-1-methylpyrazole;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;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;4-tert-butyl-2H-triazole;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole has a molecular weight of 2665.09 g/mol, XLogP of 40.47, 0 rotatable bonds, 2 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butylfuran;5-tert-butyl-1H-imidazole;2-tert-butyl-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;3-tert-butyl-1-methylpyrazole;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;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;4-tert-butyl-2H-triazole;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole is sourced from PubChem (CID 157274474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).