bis(2-tert-butylfuran);2-tert-butyl-1,3,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);3-tert-butyl-1,2-oxazole;1-tert-butylpyrazole;2-tert-butyl-1,3-thiazole;2-propan-2-yl-4H-imidazole

C63H100N10O6S — CID 157264737

About bis(2-tert-butylfuran);2-tert-butyl-1,3,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);3-tert-butyl-1,2-oxazole;1-tert-butylpyrazole;2-tert-butyl-1,3-thiazole;2-propan-2-yl-4H-imidazole

bis(2-tert-butylfuran);2-tert-butyl-1,3,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);3-tert-butyl-1,2-oxazole;1-tert-butylpyrazole;2-tert-butyl-1,3-thiazole;2-propan-2-yl-4H-imidazole (PubChem CID 157264737) has the molecular formula C63H100N10O6S and a molecular weight of 1125.62 g/mol. Its IUPAC name is bis(2-tert-butylfuran);2-tert-butyl-1,3,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);3-tert-butyl-1,2-oxazole;1-tert-butylpyrazole;2-tert-butyl-1,3-thiazole;2-propan-2-yl-4H-imidazole.

Molecular Properties

• Compound Name: bis(2-tert-butylfuran);2-tert-butyl-1,3,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);3-tert-butyl-1,2-oxazole;1-tert-butylpyrazole;2-tert-butyl-1,3-thiazole;2-propan-2-yl-4H-imidazole
• PubChem CID: 157264737
• Molecular Formula: C63H100N10O6S
• Molecular Weight: 1125.62 g/mol
• Exact Mass: 1124.75
• IUPAC Name: bis(2-tert-butylfuran);2-tert-butyl-1,3,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);3-tert-butyl-1,2-oxazole;1-tert-butylpyrazole;2-tert-butyl-1,3-thiazole;2-propan-2-yl-4H-imidazole
• SMILES: CC(C)(C)c1ccco1.CC(C)(C)c1ccco1.CC(C)(C)c1ccon1.CC(C)(C)c1ncco1.CC(C)(C)c1ncco1.CC(C)(C)c1nccs1.CC(C)(C)c1nnco1.CC(C)(C)n1cccn1.CC(C)C1=NCC=N1
• InChI: InChI=1S/2C8H12O.C7H12N2.3C7H11NO.C7H11NS.C6H10N2O.C6H10N2/c2*1-8(2,3)7-5-4-6-9-7;1-7(2,3)9-6-4-5-8-9;2*1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-9-8-6;1-7(2,3)6-8-4-5-9-6;1-6(2,3)5-8-7-4-9-5;1-5(2)6-7-3-4-8-6/h3*4-6H,1-3H3;4*4-5H,1-3H3;4H,1-3H3;3,5H,4H2,1-2H3
• InChIKey: AXWFNFMDNCJQBQ-UHFFFAOYSA-N
• XLogP: 17.64
• TPSA: 198.72 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 1
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1125.62
LogP ≤ 5	17.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of bis(2-tert-butylfuran);2-tert-butyl-1,3,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);3-tert-butyl-1,2-oxazole;1-tert-butylpyrazole;2-tert-butyl-1,3-thiazole;2-propan-2-yl-4H-imidazole?

The IUPAC name of bis(2-tert-butylfuran);2-tert-butyl-1,3,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);3-tert-butyl-1,2-oxazole;1-tert-butylpyrazole;2-tert-butyl-1,3-thiazole;2-propan-2-yl-4H-imidazole (CID 157264737) is bis(2-tert-butylfuran);2-tert-butyl-1,3,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);3-tert-butyl-1,2-oxazole;1-tert-butylpyrazole;2-tert-butyl-1,3-thiazole;2-propan-2-yl-4H-imidazole.

What is the SMILES notation for bis(2-tert-butylfuran);2-tert-butyl-1,3,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);3-tert-butyl-1,2-oxazole;1-tert-butylpyrazole;2-tert-butyl-1,3-thiazole;2-propan-2-yl-4H-imidazole?

The canonical SMILES for bis(2-tert-butylfuran);2-tert-butyl-1,3,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);3-tert-butyl-1,2-oxazole;1-tert-butylpyrazole;2-tert-butyl-1,3-thiazole;2-propan-2-yl-4H-imidazole is CC(C)(C)c1ccco1.CC(C)(C)c1ccco1.CC(C)(C)c1ccon1.CC(C)(C)c1ncco1.CC(C)(C)c1ncco1.CC(C)(C)c1nccs1.CC(C)(C)c1nnco1.CC(C)(C)n1cccn1.CC(C)C1=NCC=N1.

What is the InChIKey of bis(2-tert-butylfuran);2-tert-butyl-1,3,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);3-tert-butyl-1,2-oxazole;1-tert-butylpyrazole;2-tert-butyl-1,3-thiazole;2-propan-2-yl-4H-imidazole?

The InChIKey is AXWFNFMDNCJQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H12O.C7H12N2.3C7H11NO.C7H11NS.C6H10N2O.C6H10N2/c2*1-8(2,3)7-5-4-6-9-7;1-7(2,3)9-6-4-5-8-9;2*1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-9-8-6;1-7(2,3)6-8-4-5-9-6;1-6(2,3)5-8-7-4-9-5;1-5(2)6-7-3-4-8-6/h3*4-6H,1-3H3;4*4-5H,1-3H3;4H,1-3H3;3,5H,4H2,1-2H3.

What are the key properties of bis(2-tert-butylfuran);2-tert-butyl-1,3,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);3-tert-butyl-1,2-oxazole;1-tert-butylpyrazole;2-tert-butyl-1,3-thiazole;2-propan-2-yl-4H-imidazole?

bis(2-tert-butylfuran);2-tert-butyl-1,3,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);3-tert-butyl-1,2-oxazole;1-tert-butylpyrazole;2-tert-butyl-1,3-thiazole;2-propan-2-yl-4H-imidazole has a molecular weight of 1125.62 g/mol, XLogP of 17.64, 1 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-tert-butylfuran);2-tert-butyl-1,3,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);3-tert-butyl-1,2-oxazole;1-tert-butylpyrazole;2-tert-butyl-1,3-thiazole;2-propan-2-yl-4H-imidazole is sourced from PubChem (CID 157264737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).