5-tert-butyl-1H-imidazole;5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole;methane

C63H108N16O3 — CID 158319908

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

5-tert-butyl-1H-imidazole;5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole;methane (PubChem CID 158319908) has the molecular formula C63H108N16O3 and a molecular weight of 1137.67 g/mol. Its IUPAC name is 5-tert-butyl-1H-imidazole;5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole;methane.

Molecular Properties

• Compound Name: 5-tert-butyl-1H-imidazole;5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole;methane
• PubChem CID: 158319908
• Molecular Formula: C63H108N16O3
• Molecular Weight: 1137.67 g/mol
• Exact Mass: 1136.88
• IUPAC Name: 5-tert-butyl-1H-imidazole;5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole;methane
• SMILES: C.CC(C)(C)C1=CCC=N1.CC(C)(C)C1=CCN=C1.CC(C)(C)c1cn[nH]n1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1cnco1.CC(C)(C)c1ncco1.CC(C)(C)c1ncn[nH]1.CC(C)(C)c1ncno1.CC(C)(C)n1cccn1
• InChI: InChI=1S/2C8H13N.2C7H12N2.2C7H11NO.2C6H11N3.C6H10N2O.CH4/c1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-8-5-9-6;1-7(2,3)9-6-4-5-8-9;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;1-6(2,3)5-4-7-9-8-5;1-6(2,3)5-7-4-8-9-5;/h4,6H,5H2,1-3H3;5-6H,4H2,1-3H3;4-5H,1-3H3,(H,8,9);4-6H,1-3H3;2*4-5H,1-3H3;2*4H,1-3H3,(H,7,8,9);4H,1-3H3;1H4
• InChIKey: GOSIUPCFNOYTKR-UHFFFAOYSA-N
• XLogP: 15.93
• TPSA: 245.34 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1137.67
LogP ≤ 5	15.93
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

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

The IUPAC name of 5-tert-butyl-1H-imidazole;5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole;methane (CID 158319908) is 5-tert-butyl-1H-imidazole;5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole;methane.

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

The canonical SMILES for 5-tert-butyl-1H-imidazole;5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole;methane is C.CC(C)(C)C1=CCC=N1.CC(C)(C)C1=CCN=C1.CC(C)(C)c1cn[nH]n1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1cnco1.CC(C)(C)c1ncco1.CC(C)(C)c1ncn[nH]1.CC(C)(C)c1ncno1.CC(C)(C)n1cccn1.

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

The InChIKey is GOSIUPCFNOYTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H13N.2C7H12N2.2C7H11NO.2C6H11N3.C6H10N2O.CH4/c1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-8-5-9-6;1-7(2,3)9-6-4-5-8-9;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;1-6(2,3)5-4-7-9-8-5;1-6(2,3)5-7-4-8-9-5;/h4,6H,5H2,1-3H3;5-6H,4H2,1-3H3;4-5H,1-3H3,(H,8,9);4-6H,1-3H3;2*4-5H,1-3H3;2*4H,1-3H3,(H,7,8,9);4H,1-3H3;1H4.

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

5-tert-butyl-1H-imidazole;5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole;methane has a molecular weight of 1137.67 g/mol, XLogP of 15.93, 0 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-1H-imidazole;5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole;methane is sourced from PubChem (CID 158319908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).