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

C111H185N31O6S5 — CID 157462384

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

2-tert-butylfuran;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;5-tert-butyl-1H-pyrazole;bis(5-tert-butyl-2H-tetrazole);2-tert-butyl-1,3,4-thiadiazole;3-tert-butyl-1,2-thiazole;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;4-tert-butyl-2H-triazole;bis(5-tert-butyl-1H-1,2,4-triazole) (PubChem CID 157462384) has the molecular formula C111H185N31O6S5 and a molecular weight of 2210.25 g/mol. Its IUPAC name is 2-tert-butylfuran;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;5-tert-butyl-1H-pyrazole;bis(5-tert-butyl-2H-tetrazole);2-tert-butyl-1,3,4-thiadiazole;3-tert-butyl-1,2-thiazole;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;4-tert-butyl-2H-triazole;bis(5-tert-butyl-1H-1,2,4-triazole).

Molecular Properties

• Compound Name: 2-tert-butylfuran;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;5-tert-butyl-1H-pyrazole;bis(5-tert-butyl-2H-tetrazole);2-tert-butyl-1,3,4-thiadiazole;3-tert-butyl-1,2-thiazole;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;4-tert-butyl-2H-triazole;bis(5-tert-butyl-1H-1,2,4-triazole)
• PubChem CID: 157462384
• Molecular Formula: C111H185N31O6S5
• Molecular Weight: 2210.25 g/mol
• Exact Mass: 2208.37
• IUPAC Name: 2-tert-butylfuran;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;5-tert-butyl-1H-pyrazole;bis(5-tert-butyl-2H-tetrazole);2-tert-butyl-1,3,4-thiadiazole;3-tert-butyl-1,2-thiazole;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;4-tert-butyl-2H-triazole;bis(5-tert-butyl-1H-1,2,4-triazole)
• SMILES: CC(C)(C)c1ccco1.CC(C)(C)c1cccs1.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)c1ncn[nH]1.CC(C)(C)c1ncn[nH]1.CC(C)(C)c1ncon1.CC(C)(C)c1nn[nH]n1.CC(C)(C)c1nn[nH]n1.CC(C)(C)c1nnco1.CC(C)(C)c1nncs1
• InChI: InChI=1S/C8H12O.C8H12S.C7H12N2.3C7H11NO.3C7H11NS.3C6H11N3.2C6H10N2O.C6H10N2S.2C5H10N4/c2*1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-4-5-9-8-6;1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-4-5-9-8-6;1-7(2,3)6-4-5-8-9-6;2*1-6(2,3)5-7-4-8-9-5;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;2*1-5(2,3)4-6-8-9-7-4/h2*4-6H,1-3H3;4-5H,1-3H3,(H,8,9);6*4-5H,1-3H3;3*4H,1-3H3,(H,7,8,9);3*4H,1-3H3;2*1-3H3,(H,6,7,8,9)
• InChIKey: BUBPFPFMWGRHCR-UHFFFAOYSA-N
• XLogP: 29.44
• TPSA: 495.83 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 36
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2210.25
LogP ≤ 5	29.44
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

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

The IUPAC name of 2-tert-butylfuran;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;5-tert-butyl-1H-pyrazole;bis(5-tert-butyl-2H-tetrazole);2-tert-butyl-1,3,4-thiadiazole;3-tert-butyl-1,2-thiazole;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;4-tert-butyl-2H-triazole;bis(5-tert-butyl-1H-1,2,4-triazole) (CID 157462384) is 2-tert-butylfuran;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;5-tert-butyl-1H-pyrazole;bis(5-tert-butyl-2H-tetrazole);2-tert-butyl-1,3,4-thiadiazole;3-tert-butyl-1,2-thiazole;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;4-tert-butyl-2H-triazole;bis(5-tert-butyl-1H-1,2,4-triazole).

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

The canonical SMILES for 2-tert-butylfuran;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;5-tert-butyl-1H-pyrazole;bis(5-tert-butyl-2H-tetrazole);2-tert-butyl-1,3,4-thiadiazole;3-tert-butyl-1,2-thiazole;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;4-tert-butyl-2H-triazole;bis(5-tert-butyl-1H-1,2,4-triazole) is CC(C)(C)c1ccco1.CC(C)(C)c1cccs1.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)c1ncn[nH]1.CC(C)(C)c1ncn[nH]1.CC(C)(C)c1ncon1.CC(C)(C)c1nn[nH]n1.CC(C)(C)c1nn[nH]n1.CC(C)(C)c1nnco1.CC(C)(C)c1nncs1.

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

The InChIKey is BUBPFPFMWGRHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O.C8H12S.C7H12N2.3C7H11NO.3C7H11NS.3C6H11N3.2C6H10N2O.C6H10N2S.2C5H10N4/c2*1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-4-5-9-8-6;1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-4-5-9-8-6;1-7(2,3)6-4-5-8-9-6;2*1-6(2,3)5-7-4-8-9-5;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;2*1-5(2,3)4-6-8-9-7-4/h2*4-6H,1-3H3;4-5H,1-3H3,(H,8,9);6*4-5H,1-3H3;3*4H,1-3H3,(H,7,8,9);3*4H,1-3H3;2*1-3H3,(H,6,7,8,9).

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

2-tert-butylfuran;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;5-tert-butyl-1H-pyrazole;bis(5-tert-butyl-2H-tetrazole);2-tert-butyl-1,3,4-thiadiazole;3-tert-butyl-1,2-thiazole;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;4-tert-butyl-2H-triazole;bis(5-tert-butyl-1H-1,2,4-triazole) has a molecular weight of 2210.25 g/mol, XLogP of 29.44, 0 rotatable bonds, 6 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butylfuran;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;5-tert-butyl-1H-pyrazole;bis(5-tert-butyl-2H-tetrazole);2-tert-butyl-1,3,4-thiadiazole;3-tert-butyl-1,2-thiazole;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;4-tert-butyl-2H-triazole;bis(5-tert-butyl-1H-1,2,4-triazole) is sourced from PubChem (CID 157462384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).