1,4-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;bis(3,5-dimethyl-1,2-oxazole);2,5-dimethylpyrazine;3,6-dimethylpyridazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);1,4-xylene

C83H114N22O7 — CID 160941222

About 1,4-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;bis(3,5-dimethyl-1,2-oxazole);2,5-dimethylpyrazine;3,6-dimethylpyridazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);1,4-xylene

1,4-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;bis(3,5-dimethyl-1,2-oxazole);2,5-dimethylpyrazine;3,6-dimethylpyridazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);1,4-xylene (PubChem CID 160941222) has the molecular formula C83H114N22O7 and a molecular weight of 1531.97 g/mol. Its IUPAC name is 1,4-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;bis(3,5-dimethyl-1,2-oxazole);2,5-dimethylpyrazine;3,6-dimethylpyridazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);1,4-xylene.

Molecular Properties

• Compound Name: 1,4-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;bis(3,5-dimethyl-1,2-oxazole);2,5-dimethylpyrazine;3,6-dimethylpyridazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);1,4-xylene
• PubChem CID: 160941222
• Molecular Formula: C83H114N22O7
• Molecular Weight: 1531.97 g/mol
• Exact Mass: 1530.92
• IUPAC Name: 1,4-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;bis(3,5-dimethyl-1,2-oxazole);2,5-dimethylpyrazine;3,6-dimethylpyridazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);1,4-xylene
• SMILES: Cc1cc(C)on1.Cc1cc(C)on1.Cc1ccc(C)cc1.Cc1ccc(C)nc1.Cc1ccc(C)nc1.Cc1ccc(C)nn1.Cc1cn(C)cn1.Cc1cnc(C)cn1.Cc1cnc(C)nc1.Cc1cnc(C)nc1.Cc1cnc(C)o1.Cc1coc(C)n1.Cc1nnc(C)o1.Cc1noc(C)n1.Cc1noc(C)n1
• InChI: InChI=1S/C8H10.2C7H9N.4C6H8N2.C5H8N2.4C5H7NO.3C4H6N2O/c1-7-3-5-8(2)6-4-7;2*1-6-3-4-7(2)8-5-6;1-5-3-8-6(2)4-7-5;2*1-5-3-7-6(2)8-4-5;1-5-3-4-6(2)8-7-5;1-5-3-7(2)4-6-5;1-4-3-7-5(2)6-4;1-4-3-6-5(2)7-4;2*1-4-3-5(2)7-6-4;1-3-5-6-4(2)7-3;2*1-3-5-4(2)7-6-3/h3-6H,1-2H3;2*3-5H,1-2H3;4*3-4H,1-2H3;3-4H,1-2H3;4*3H,1-2H3;3*1-2H3
• InChIKey: SUNMNULIAMQAEN-UHFFFAOYSA-N
• XLogP: 18.03
• TPSA: 367.60 Ų
• H-Bond Acceptors: 29
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1531.97
LogP ≤ 5	18.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;bis(3,5-dimethyl-1,2-oxazole);2,5-dimethylpyrazine;3,6-dimethylpyridazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);1,4-xylene?

The IUPAC name of 1,4-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;bis(3,5-dimethyl-1,2-oxazole);2,5-dimethylpyrazine;3,6-dimethylpyridazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);1,4-xylene (CID 160941222) is 1,4-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;bis(3,5-dimethyl-1,2-oxazole);2,5-dimethylpyrazine;3,6-dimethylpyridazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);1,4-xylene.

What is the SMILES notation for 1,4-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;bis(3,5-dimethyl-1,2-oxazole);2,5-dimethylpyrazine;3,6-dimethylpyridazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);1,4-xylene?

The canonical SMILES for 1,4-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;bis(3,5-dimethyl-1,2-oxazole);2,5-dimethylpyrazine;3,6-dimethylpyridazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);1,4-xylene is Cc1cc(C)on1.Cc1cc(C)on1.Cc1ccc(C)cc1.Cc1ccc(C)nc1.Cc1ccc(C)nc1.Cc1ccc(C)nn1.Cc1cn(C)cn1.Cc1cnc(C)cn1.Cc1cnc(C)nc1.Cc1cnc(C)nc1.Cc1cnc(C)o1.Cc1coc(C)n1.Cc1nnc(C)o1.Cc1noc(C)n1.Cc1noc(C)n1.

What is the InChIKey of 1,4-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;bis(3,5-dimethyl-1,2-oxazole);2,5-dimethylpyrazine;3,6-dimethylpyridazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);1,4-xylene?

The InChIKey is SUNMNULIAMQAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.2C7H9N.4C6H8N2.C5H8N2.4C5H7NO.3C4H6N2O/c1-7-3-5-8(2)6-4-7;2*1-6-3-4-7(2)8-5-6;1-5-3-8-6(2)4-7-5;2*1-5-3-7-6(2)8-4-5;1-5-3-4-6(2)8-7-5;1-5-3-7(2)4-6-5;1-4-3-7-5(2)6-4;1-4-3-6-5(2)7-4;2*1-4-3-5(2)7-6-4;1-3-5-6-4(2)7-3;2*1-3-5-4(2)7-6-3/h3-6H,1-2H3;2*3-5H,1-2H3;4*3-4H,1-2H3;3-4H,1-2H3;4*3H,1-2H3;3*1-2H3.

What are the key properties of 1,4-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;bis(3,5-dimethyl-1,2-oxazole);2,5-dimethylpyrazine;3,6-dimethylpyridazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);1,4-xylene?

1,4-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;bis(3,5-dimethyl-1,2-oxazole);2,5-dimethylpyrazine;3,6-dimethylpyridazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);1,4-xylene has a molecular weight of 1531.97 g/mol, XLogP of 18.03, 0 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;bis(3,5-dimethyl-1,2-oxazole);2,5-dimethylpyrazine;3,6-dimethylpyridazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);1,4-xylene is sourced from PubChem (CID 160941222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).