2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;3-tert-butyl-1,2,4-thiadiazole;5-tert-butylthiatriazole;octakis(2,2-dimethylpropane);1-methylimidazole;1-methylpyrazole;1-methyl-1,2,4-triazole;1,2-oxazole;1,3-oxazole;1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole

C88H166N22O4S5 — CID 163829686

About 2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;3-tert-butyl-1,2,4-thiadiazole;5-tert-butylthiatriazole;octakis(2,2-dimethylpropane);1-methylimidazole;1-methylpyrazole;1-methyl-1,2,4-triazole;1,2-oxazole;1,3-oxazole;1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole

2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;3-tert-butyl-1,2,4-thiadiazole;5-tert-butylthiatriazole;octakis(2,2-dimethylpropane);1-methylimidazole;1-methylpyrazole;1-methyl-1,2,4-triazole;1,2-oxazole;1,3-oxazole;1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole (PubChem CID 163829686) has the molecular formula C88H166N22O4S5 and a molecular weight of 1756.78 g/mol. Its IUPAC name is 2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;3-tert-butyl-1,2,4-thiadiazole;5-tert-butylthiatriazole;octakis(2,2-dimethylpropane);1-methylimidazole;1-methylpyrazole;1-methyl-1,2,4-triazole;1,2-oxazole;1,3-oxazole;1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole.

Molecular Properties

• Compound Name: 2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;3-tert-butyl-1,2,4-thiadiazole;5-tert-butylthiatriazole;octakis(2,2-dimethylpropane);1-methylimidazole;1-methylpyrazole;1-methyl-1,2,4-triazole;1,2-oxazole;1,3-oxazole;1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole
• PubChem CID: 163829686
• Molecular Formula: C88H166N22O4S5
• Molecular Weight: 1756.78 g/mol
• Exact Mass: 1755.21
• IUPAC Name: 2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;3-tert-butyl-1,2,4-thiadiazole;5-tert-butylthiatriazole;octakis(2,2-dimethylpropane);1-methylimidazole;1-methylpyrazole;1-methyl-1,2,4-triazole;1,2-oxazole;1,3-oxazole;1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole
• SMILES: CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1ncon1.CC(C)(C)c1ncsn1.CC(C)(C)c1nnco1.CC(C)(C)c1nnns1.Cn1cccn1.Cn1ccnc1.Cn1cncn1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1.c1ncsn1
• InChI: InChI=1S/2C6H10N2O.C6H10N2S.C5H9N3S.8C5H12.2C4H6N2.C3H5N3.2C3H3NO.2C3H3NS.C2H2N2S/c1-6(2,3)5-8-7-4-9-5;2*1-6(2,3)5-7-4-9-8-5;1-5(2,3)4-6-7-8-9-4;8*1-5(2,3)4;1-6-3-2-5-4-6;1-6-4-2-3-5-6;1-6-3-4-2-5-6;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-3-2-5-4-1/h3*4H,1-3H3;1-3H3;8*1-4H3;2*2-4H,1H3;2-3H,1H3;4*1-3H;1-2H
• InChIKey: OCPKSLLBOOVZHZ-UHFFFAOYSA-N
• XLogP: 27.05
• TPSA: 312.26 Ų
• H-Bond Acceptors: 31
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1756.78
LogP ≤ 5	27.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;3-tert-butyl-1,2,4-thiadiazole;5-tert-butylthiatriazole;octakis(2,2-dimethylpropane);1-methylimidazole;1-methylpyrazole;1-methyl-1,2,4-triazole;1,2-oxazole;1,3-oxazole;1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole?

The IUPAC name of 2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;3-tert-butyl-1,2,4-thiadiazole;5-tert-butylthiatriazole;octakis(2,2-dimethylpropane);1-methylimidazole;1-methylpyrazole;1-methyl-1,2,4-triazole;1,2-oxazole;1,3-oxazole;1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole (CID 163829686) is 2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;3-tert-butyl-1,2,4-thiadiazole;5-tert-butylthiatriazole;octakis(2,2-dimethylpropane);1-methylimidazole;1-methylpyrazole;1-methyl-1,2,4-triazole;1,2-oxazole;1,3-oxazole;1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole.

What is the SMILES notation for 2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;3-tert-butyl-1,2,4-thiadiazole;5-tert-butylthiatriazole;octakis(2,2-dimethylpropane);1-methylimidazole;1-methylpyrazole;1-methyl-1,2,4-triazole;1,2-oxazole;1,3-oxazole;1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole?

The canonical SMILES for 2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;3-tert-butyl-1,2,4-thiadiazole;5-tert-butylthiatriazole;octakis(2,2-dimethylpropane);1-methylimidazole;1-methylpyrazole;1-methyl-1,2,4-triazole;1,2-oxazole;1,3-oxazole;1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole is CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1ncon1.CC(C)(C)c1ncsn1.CC(C)(C)c1nnco1.CC(C)(C)c1nnns1.Cn1cccn1.Cn1ccnc1.Cn1cncn1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1.c1ncsn1.

What is the InChIKey of 2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;3-tert-butyl-1,2,4-thiadiazole;5-tert-butylthiatriazole;octakis(2,2-dimethylpropane);1-methylimidazole;1-methylpyrazole;1-methyl-1,2,4-triazole;1,2-oxazole;1,3-oxazole;1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole?

The InChIKey is OCPKSLLBOOVZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H10N2O.C6H10N2S.C5H9N3S.8C5H12.2C4H6N2.C3H5N3.2C3H3NO.2C3H3NS.C2H2N2S/c1-6(2,3)5-8-7-4-9-5;2*1-6(2,3)5-7-4-9-8-5;1-5(2,3)4-6-7-8-9-4;8*1-5(2,3)4;1-6-3-2-5-4-6;1-6-4-2-3-5-6;1-6-3-4-2-5-6;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-3-2-5-4-1/h3*4H,1-3H3;1-3H3;8*1-4H3;2*2-4H,1H3;2-3H,1H3;4*1-3H;1-2H.

What are the key properties of 2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;3-tert-butyl-1,2,4-thiadiazole;5-tert-butylthiatriazole;octakis(2,2-dimethylpropane);1-methylimidazole;1-methylpyrazole;1-methyl-1,2,4-triazole;1,2-oxazole;1,3-oxazole;1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole?

2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;3-tert-butyl-1,2,4-thiadiazole;5-tert-butylthiatriazole;octakis(2,2-dimethylpropane);1-methylimidazole;1-methylpyrazole;1-methyl-1,2,4-triazole;1,2-oxazole;1,3-oxazole;1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole has a molecular weight of 1756.78 g/mol, XLogP of 27.05, 0 rotatable bonds, 0 hydrogen bond donors, and 31 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;3-tert-butyl-1,2,4-thiadiazole;5-tert-butylthiatriazole;octakis(2,2-dimethylpropane);1-methylimidazole;1-methylpyrazole;1-methyl-1,2,4-triazole;1,2-oxazole;1,3-oxazole;1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole is sourced from PubChem (CID 163829686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).