5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;methane;5-methyl-1H-imidazole;5-methyl-1,3-oxazole;tetrakis(2-methylpropane);4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole

C67H124N16O3 — CID 161400441

About 5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;methane;5-methyl-1H-imidazole;5-methyl-1,3-oxazole;tetrakis(2-methylpropane);4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole

5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;methane;5-methyl-1H-imidazole;5-methyl-1,3-oxazole;tetrakis(2-methylpropane);4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole (PubChem CID 161400441) has the molecular formula C67H124N16O3 and a molecular weight of 1201.84 g/mol. Its IUPAC name is 5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;methane;5-methyl-1H-imidazole;5-methyl-1,3-oxazole;tetrakis(2-methylpropane);4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole.

Molecular Properties

• Compound Name: 5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;methane;5-methyl-1H-imidazole;5-methyl-1,3-oxazole;tetrakis(2-methylpropane);4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole
• PubChem CID: 161400441
• Molecular Formula: C67H124N16O3
• Molecular Weight: 1201.84 g/mol
• Exact Mass: 1201.00
• IUPAC Name: 5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;methane;5-methyl-1H-imidazole;5-methyl-1,3-oxazole;tetrakis(2-methylpropane);4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole
• SMILES: C.CC(C)(C)C1=CCC=N1.CC(C)(C)C1=CCN=C1.CC(C)(C)c1ncco1.CC(C)(C)c1ncno1.CC(C)(C)n1cccn1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.Cc1cn[nH]n1.Cc1cnc[nH]1.Cc1cnco1.Cc1ncn[nH]1
• InChI: InChI=1S/2C8H13N.C7H12N2.C7H11NO.C6H10N2O.C4H6N2.C4H5NO.4C4H10.2C3H5N3.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)9-6-4-5-8-9;1-7(2,3)6-8-4-5-9-6;1-6(2,3)5-7-4-8-9-5;2*1-4-2-5-3-6-4;4*1-4(2)3;1-3-4-2-5-6-3;1-3-2-4-6-5-3;/h4,6H,5H2,1-3H3;5-6H,4H2,1-3H3;4-6H,1-3H3;4-5H,1-3H3;4H,1-3H3;2-3H,1H3,(H,5,6);2-3H,1H3;4*4H,1-3H3;2*2H,1H3,(H,4,5,6);1H4
• InChIKey: VUEAJKIQQDQWRG-UHFFFAOYSA-N
• XLogP: 18.62
• TPSA: 245.34 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1201.84
LogP ≤ 5	18.62
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

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

The IUPAC name of 5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;methane;5-methyl-1H-imidazole;5-methyl-1,3-oxazole;tetrakis(2-methylpropane);4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole (CID 161400441) is 5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;methane;5-methyl-1H-imidazole;5-methyl-1,3-oxazole;tetrakis(2-methylpropane);4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole.

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

The canonical SMILES for 5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;methane;5-methyl-1H-imidazole;5-methyl-1,3-oxazole;tetrakis(2-methylpropane);4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole is C.CC(C)(C)C1=CCC=N1.CC(C)(C)C1=CCN=C1.CC(C)(C)c1ncco1.CC(C)(C)c1ncno1.CC(C)(C)n1cccn1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.Cc1cn[nH]n1.Cc1cnc[nH]1.Cc1cnco1.Cc1ncn[nH]1.

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

The InChIKey is VUEAJKIQQDQWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H13N.C7H12N2.C7H11NO.C6H10N2O.C4H6N2.C4H5NO.4C4H10.2C3H5N3.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)9-6-4-5-8-9;1-7(2,3)6-8-4-5-9-6;1-6(2,3)5-7-4-8-9-5;2*1-4-2-5-3-6-4;4*1-4(2)3;1-3-4-2-5-6-3;1-3-2-4-6-5-3;/h4,6H,5H2,1-3H3;5-6H,4H2,1-3H3;4-6H,1-3H3;4-5H,1-3H3;4H,1-3H3;2-3H,1H3,(H,5,6);2-3H,1H3;4*4H,1-3H3;2*2H,1H3,(H,4,5,6);1H4.

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

5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;methane;5-methyl-1H-imidazole;5-methyl-1,3-oxazole;tetrakis(2-methylpropane);4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole has a molecular weight of 1201.84 g/mol, XLogP of 18.62, 0 rotatable bonds, 3 hydrogen bond donors, and 16 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;1-tert-butylpyrazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;methane;5-methyl-1H-imidazole;5-methyl-1,3-oxazole;tetrakis(2-methylpropane);4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole is sourced from PubChem (CID 161400441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).