5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;3-tert-butyl-4H-pyrazole;4-tert-butyl-1H-pyrazole;4-tert-butyl-3H-pyrazole;4-tert-butyl-3H-pyrrole

C63H104N14O4 — CID 159538341

About 5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;3-tert-butyl-4H-pyrazole;4-tert-butyl-1H-pyrazole;4-tert-butyl-3H-pyrazole;4-tert-butyl-3H-pyrrole

5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;3-tert-butyl-4H-pyrazole;4-tert-butyl-1H-pyrazole;4-tert-butyl-3H-pyrazole;4-tert-butyl-3H-pyrrole (PubChem CID 159538341) has the molecular formula C63H104N14O4 and a molecular weight of 1121.62 g/mol. Its IUPAC name is 5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;3-tert-butyl-4H-pyrazole;4-tert-butyl-1H-pyrazole;4-tert-butyl-3H-pyrazole;4-tert-butyl-3H-pyrrole.

Molecular Properties

• Compound Name: 5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;3-tert-butyl-4H-pyrazole;4-tert-butyl-1H-pyrazole;4-tert-butyl-3H-pyrazole;4-tert-butyl-3H-pyrrole
• PubChem CID: 159538341
• Molecular Formula: C63H104N14O4
• Molecular Weight: 1121.62 g/mol
• Exact Mass: 1120.84
• IUPAC Name: 5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;3-tert-butyl-4H-pyrazole;4-tert-butyl-1H-pyrazole;4-tert-butyl-3H-pyrazole;4-tert-butyl-3H-pyrrole
• SMILES: CC(C)(C)C1=CN=CC1.CC(C)(C)C1=CN=NC1.CC(C)(C)C1=NN=CC1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cnco1.CC(C)(C)c1cocn1.CC(C)(C)c1ncco1.CC(C)(C)c1ncno1.CC(C)(C)n1cccn1
• InChI: InChI=1S/C8H13N.4C7H12N2.3C7H11NO.C6H10N2O/c1-8(2,3)7-4-5-9-6-7;2*1-7(2,3)6-4-8-9-5-6;1-7(2,3)9-6-4-5-8-9;1-7(2,3)6-4-5-8-9-6;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/h5-6H,4H2,1-3H3;4H,5H2,1-3H3;4-5H,1-3H3,(H,8,9);4-6H,1-3H3;5H,4H2,1-3H3;3*4-5H,1-3H3;4H,1-3H3
• InChIKey: MDWNBUFXTXDEIJ-UHFFFAOYSA-N
• XLogP: 17.26
• TPSA: 225.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 17
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1121.62
LogP ≤ 5	17.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;3-tert-butyl-4H-pyrazole;4-tert-butyl-1H-pyrazole;4-tert-butyl-3H-pyrazole;4-tert-butyl-3H-pyrrole?

The IUPAC name of 5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;3-tert-butyl-4H-pyrazole;4-tert-butyl-1H-pyrazole;4-tert-butyl-3H-pyrazole;4-tert-butyl-3H-pyrrole (CID 159538341) is 5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;3-tert-butyl-4H-pyrazole;4-tert-butyl-1H-pyrazole;4-tert-butyl-3H-pyrazole;4-tert-butyl-3H-pyrrole.

What is the SMILES notation for 5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;3-tert-butyl-4H-pyrazole;4-tert-butyl-1H-pyrazole;4-tert-butyl-3H-pyrazole;4-tert-butyl-3H-pyrrole?

The canonical SMILES for 5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;3-tert-butyl-4H-pyrazole;4-tert-butyl-1H-pyrazole;4-tert-butyl-3H-pyrazole;4-tert-butyl-3H-pyrrole is CC(C)(C)C1=CN=CC1.CC(C)(C)C1=CN=NC1.CC(C)(C)C1=NN=CC1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cnco1.CC(C)(C)c1cocn1.CC(C)(C)c1ncco1.CC(C)(C)c1ncno1.CC(C)(C)n1cccn1.

What is the InChIKey of 5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;3-tert-butyl-4H-pyrazole;4-tert-butyl-1H-pyrazole;4-tert-butyl-3H-pyrazole;4-tert-butyl-3H-pyrrole?

The InChIKey is MDWNBUFXTXDEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N.4C7H12N2.3C7H11NO.C6H10N2O/c1-8(2,3)7-4-5-9-6-7;2*1-7(2,3)6-4-8-9-5-6;1-7(2,3)9-6-4-5-8-9;1-7(2,3)6-4-5-8-9-6;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/h5-6H,4H2,1-3H3;4H,5H2,1-3H3;4-5H,1-3H3,(H,8,9);4-6H,1-3H3;5H,4H2,1-3H3;3*4-5H,1-3H3;4H,1-3H3.

What are the key properties of 5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;3-tert-butyl-4H-pyrazole;4-tert-butyl-1H-pyrazole;4-tert-butyl-3H-pyrazole;4-tert-butyl-3H-pyrrole?

5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;3-tert-butyl-4H-pyrazole;4-tert-butyl-1H-pyrazole;4-tert-butyl-3H-pyrazole;4-tert-butyl-3H-pyrrole has a molecular weight of 1121.62 g/mol, XLogP of 17.26, 0 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;3-tert-butyl-4H-pyrazole;4-tert-butyl-1H-pyrazole;4-tert-butyl-3H-pyrazole;4-tert-butyl-3H-pyrrole is sourced from PubChem (CID 159538341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).