1,4-dimethylimidazole;1,4-di(propan-2-yl)triazole;1,4-dipropylimidazole;2,5-dipropyl-1,3-oxazole;1,4-dipropylpyrazole;1,4-dipropyltriazole;5-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;octane

C70H126N16O2 — CID 161115588

About 1,4-dimethylimidazole;1,4-di(propan-2-yl)triazole;1,4-dipropylimidazole;2,5-dipropyl-1,3-oxazole;1,4-dipropylpyrazole;1,4-dipropyltriazole;5-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;octane

1,4-dimethylimidazole;1,4-di(propan-2-yl)triazole;1,4-dipropylimidazole;2,5-dipropyl-1,3-oxazole;1,4-dipropylpyrazole;1,4-dipropyltriazole;5-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;octane (PubChem CID 161115588) has the molecular formula C70H126N16O2 and a molecular weight of 1223.89 g/mol. Its IUPAC name is 1,4-dimethylimidazole;1,4-di(propan-2-yl)triazole;1,4-dipropylimidazole;2,5-dipropyl-1,3-oxazole;1,4-dipropylpyrazole;1,4-dipropyltriazole;5-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;octane.

Molecular Properties

• Compound Name: 1,4-dimethylimidazole;1,4-di(propan-2-yl)triazole;1,4-dipropylimidazole;2,5-dipropyl-1,3-oxazole;1,4-dipropylpyrazole;1,4-dipropyltriazole;5-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;octane
• PubChem CID: 161115588
• Molecular Formula: C70H126N16O2
• Molecular Weight: 1223.89 g/mol
• Exact Mass: 1223.02
• IUPAC Name: 1,4-dimethylimidazole;1,4-di(propan-2-yl)triazole;1,4-dipropylimidazole;2,5-dipropyl-1,3-oxazole;1,4-dipropylpyrazole;1,4-dipropyltriazole;5-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;octane
• SMILES: CC(C)c1cn(C(C)C)nn1.CC(C)c1cnn(C)c1.CCCCCCCC.CCCc1cn(CCC)cn1.CCCc1cn(CCC)nn1.CCCc1cnc(CCC)o1.CCCc1cnn(CCC)c1.Cc1cn(C)cn1.Cc1cnc(C(C)C)o1
• InChI: InChI=1S/2C9H16N2.C9H15NO.2C8H15N3.C8H18.C7H12N2.C7H11NO.C5H8N2/c1-3-5-9-7-11(6-4-2)8-10-9;1-3-5-9-7-10-11(8-9)6-4-2;1-3-5-8-7-10-9(11-8)6-4-2;1-6(2)8-5-11(7(3)4)10-9-8;1-3-5-8-7-11(6-4-2)10-9-8;1-3-5-7-8-6-4-2;1-6(2)7-4-8-9(3)5-7;1-5(2)7-8-4-6(3)9-7;1-5-3-7(2)4-6-5/h2*7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3;5-7H,1-4H3;7H,3-6H2,1-2H3;3-8H2,1-2H3;4-6H,1-3H3;4-5H,1-3H3;3-4H,1-2H3
• InChIKey: UKGUIUOSFMJMEO-UHFFFAOYSA-N
• XLogP: 18.44
• TPSA: 184.76 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 25
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1223.89
LogP ≤ 5	18.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylimidazole;1,4-di(propan-2-yl)triazole;1,4-dipropylimidazole;2,5-dipropyl-1,3-oxazole;1,4-dipropylpyrazole;1,4-dipropyltriazole;5-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;octane?

The IUPAC name of 1,4-dimethylimidazole;1,4-di(propan-2-yl)triazole;1,4-dipropylimidazole;2,5-dipropyl-1,3-oxazole;1,4-dipropylpyrazole;1,4-dipropyltriazole;5-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;octane (CID 161115588) is 1,4-dimethylimidazole;1,4-di(propan-2-yl)triazole;1,4-dipropylimidazole;2,5-dipropyl-1,3-oxazole;1,4-dipropylpyrazole;1,4-dipropyltriazole;5-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;octane.

What is the SMILES notation for 1,4-dimethylimidazole;1,4-di(propan-2-yl)triazole;1,4-dipropylimidazole;2,5-dipropyl-1,3-oxazole;1,4-dipropylpyrazole;1,4-dipropyltriazole;5-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;octane?

The canonical SMILES for 1,4-dimethylimidazole;1,4-di(propan-2-yl)triazole;1,4-dipropylimidazole;2,5-dipropyl-1,3-oxazole;1,4-dipropylpyrazole;1,4-dipropyltriazole;5-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;octane is CC(C)c1cn(C(C)C)nn1.CC(C)c1cnn(C)c1.CCCCCCCC.CCCc1cn(CCC)cn1.CCCc1cn(CCC)nn1.CCCc1cnc(CCC)o1.CCCc1cnn(CCC)c1.Cc1cn(C)cn1.Cc1cnc(C(C)C)o1.

What is the InChIKey of 1,4-dimethylimidazole;1,4-di(propan-2-yl)triazole;1,4-dipropylimidazole;2,5-dipropyl-1,3-oxazole;1,4-dipropylpyrazole;1,4-dipropyltriazole;5-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;octane?

The InChIKey is UKGUIUOSFMJMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H16N2.C9H15NO.2C8H15N3.C8H18.C7H12N2.C7H11NO.C5H8N2/c1-3-5-9-7-11(6-4-2)8-10-9;1-3-5-9-7-10-11(8-9)6-4-2;1-3-5-8-7-10-9(11-8)6-4-2;1-6(2)8-5-11(7(3)4)10-9-8;1-3-5-8-7-11(6-4-2)10-9-8;1-3-5-7-8-6-4-2;1-6(2)7-4-8-9(3)5-7;1-5(2)7-8-4-6(3)9-7;1-5-3-7(2)4-6-5/h2*7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3;5-7H,1-4H3;7H,3-6H2,1-2H3;3-8H2,1-2H3;4-6H,1-3H3;4-5H,1-3H3;3-4H,1-2H3.

What are the key properties of 1,4-dimethylimidazole;1,4-di(propan-2-yl)triazole;1,4-dipropylimidazole;2,5-dipropyl-1,3-oxazole;1,4-dipropylpyrazole;1,4-dipropyltriazole;5-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;octane?

1,4-dimethylimidazole;1,4-di(propan-2-yl)triazole;1,4-dipropylimidazole;2,5-dipropyl-1,3-oxazole;1,4-dipropylpyrazole;1,4-dipropyltriazole;5-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;octane has a molecular weight of 1223.89 g/mol, XLogP of 18.44, 25 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4-dimethylimidazole;1,4-di(propan-2-yl)triazole;1,4-dipropylimidazole;2,5-dipropyl-1,3-oxazole;1,4-dipropylpyrazole;1,4-dipropyltriazole;5-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;octane is sourced from PubChem (CID 161115588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).