2-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;5-tert-butyl-1H-pyrazole;3-tert-butylpyridine;5-tert-butylpyrimidine;5-tert-butyl-3H-pyrrole;5-tert-butyl-1H-1,2,4-triazole

C80H128N18O4 — CID 158448689

About 2-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;5-tert-butyl-1H-pyrazole;3-tert-butylpyridine;5-tert-butylpyrimidine;5-tert-butyl-3H-pyrrole;5-tert-butyl-1H-1,2,4-triazole

2-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;5-tert-butyl-1H-pyrazole;3-tert-butylpyridine;5-tert-butylpyrimidine;5-tert-butyl-3H-pyrrole;5-tert-butyl-1H-1,2,4-triazole (PubChem CID 158448689) has the molecular formula C80H128N18O4 and a molecular weight of 1406.03 g/mol. Its IUPAC name is 2-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;5-tert-butyl-1H-pyrazole;3-tert-butylpyridine;5-tert-butylpyrimidine;5-tert-butyl-3H-pyrrole;5-tert-butyl-1H-1,2,4-triazole.

Molecular Properties

• Compound Name: 2-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;5-tert-butyl-1H-pyrazole;3-tert-butylpyridine;5-tert-butylpyrimidine;5-tert-butyl-3H-pyrrole;5-tert-butyl-1H-1,2,4-triazole
• PubChem CID: 158448689
• Molecular Formula: C80H128N18O4
• Molecular Weight: 1406.03 g/mol
• Exact Mass: 1405.04
• IUPAC Name: 2-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;5-tert-butyl-1H-pyrazole;3-tert-butylpyridine;5-tert-butylpyrimidine;5-tert-butyl-3H-pyrrole;5-tert-butyl-1H-1,2,4-triazole
• SMILES: CC(C)(C)C1=CCC=N1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccco1.CC(C)(C)c1ccn[nH]1.CC(C)(C)c1cnccn1.CC(C)(C)c1cncnc1.CC(C)(C)c1ncco1.CC(C)(C)c1ncn[nH]1.CC(C)(C)c1ncon1.CC(C)(C)c1nnco1.CC(C)(C)n1ccnc1
• InChI: InChI=1S/C9H13N.2C8H12N2.C8H13N.C8H12O.2C7H12N2.C7H11NO.C6H11N3.2C6H10N2O/c1-9(2,3)8-5-4-6-10-7-8;1-8(2,3)7-4-9-6-10-5-7;1-8(2,3)7-6-9-4-5-10-7;2*1-8(2,3)7-5-4-6-9-7;1-7(2,3)9-5-4-8-6-9;1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-8-4-5-9-6;1-6(2,3)5-7-4-8-9-5;1-6(2,3)5-8-7-4-9-5;1-6(2,3)5-7-4-9-8-5/h4-7H,1-3H3;2*4-6H,1-3H3;5-6H,4H2,1-3H3;2*4-6H,1-3H3;4-5H,1-3H3,(H,8,9);4-5H,1-3H3;4H,1-3H3,(H,7,8,9);2*4H,1-3H3
• InChIKey: HDRZQTSHRYGZSQ-UHFFFAOYSA-N
• XLogP: 20.05
• TPSA: 281.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1406.03
LogP ≤ 5	20.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;5-tert-butyl-1H-pyrazole;3-tert-butylpyridine;5-tert-butylpyrimidine;5-tert-butyl-3H-pyrrole;5-tert-butyl-1H-1,2,4-triazole?

The IUPAC name of 2-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;5-tert-butyl-1H-pyrazole;3-tert-butylpyridine;5-tert-butylpyrimidine;5-tert-butyl-3H-pyrrole;5-tert-butyl-1H-1,2,4-triazole (CID 158448689) is 2-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;5-tert-butyl-1H-pyrazole;3-tert-butylpyridine;5-tert-butylpyrimidine;5-tert-butyl-3H-pyrrole;5-tert-butyl-1H-1,2,4-triazole.

What is the SMILES notation for 2-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;5-tert-butyl-1H-pyrazole;3-tert-butylpyridine;5-tert-butylpyrimidine;5-tert-butyl-3H-pyrrole;5-tert-butyl-1H-1,2,4-triazole?

The canonical SMILES for 2-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;5-tert-butyl-1H-pyrazole;3-tert-butylpyridine;5-tert-butylpyrimidine;5-tert-butyl-3H-pyrrole;5-tert-butyl-1H-1,2,4-triazole is CC(C)(C)C1=CCC=N1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccco1.CC(C)(C)c1ccn[nH]1.CC(C)(C)c1cnccn1.CC(C)(C)c1cncnc1.CC(C)(C)c1ncco1.CC(C)(C)c1ncn[nH]1.CC(C)(C)c1ncon1.CC(C)(C)c1nnco1.CC(C)(C)n1ccnc1.

What is the InChIKey of 2-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;5-tert-butyl-1H-pyrazole;3-tert-butylpyridine;5-tert-butylpyrimidine;5-tert-butyl-3H-pyrrole;5-tert-butyl-1H-1,2,4-triazole?

The InChIKey is HDRZQTSHRYGZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N.2C8H12N2.C8H13N.C8H12O.2C7H12N2.C7H11NO.C6H11N3.2C6H10N2O/c1-9(2,3)8-5-4-6-10-7-8;1-8(2,3)7-4-9-6-10-5-7;1-8(2,3)7-6-9-4-5-10-7;2*1-8(2,3)7-5-4-6-9-7;1-7(2,3)9-5-4-8-6-9;1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-8-4-5-9-6;1-6(2,3)5-7-4-8-9-5;1-6(2,3)5-8-7-4-9-5;1-6(2,3)5-7-4-9-8-5/h4-7H,1-3H3;2*4-6H,1-3H3;5-6H,4H2,1-3H3;2*4-6H,1-3H3;4-5H,1-3H3,(H,8,9);4-5H,1-3H3;4H,1-3H3,(H,7,8,9);2*4H,1-3H3.

What are the key properties of 2-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;5-tert-butyl-1H-pyrazole;3-tert-butylpyridine;5-tert-butylpyrimidine;5-tert-butyl-3H-pyrrole;5-tert-butyl-1H-1,2,4-triazole?

2-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;5-tert-butyl-1H-pyrazole;3-tert-butylpyridine;5-tert-butylpyrimidine;5-tert-butyl-3H-pyrrole;5-tert-butyl-1H-1,2,4-triazole has a molecular weight of 1406.03 g/mol, XLogP of 20.05, 0 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;5-tert-butyl-1H-pyrazole;3-tert-butylpyridine;5-tert-butylpyrimidine;5-tert-butyl-3H-pyrrole;5-tert-butyl-1H-1,2,4-triazole is sourced from PubChem (CID 158448689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).