3,5-dimethyl-4-(2-methylpropyl)-1,2-oxazole;1-(3-methylbutyl)pyrrole;1-methyl-4-(2-methylpropyl)imidazole;2-methyl-4-(2-methylpropyl)thiadiazol-2-ium;5-(2-methylpropyl)-1H-imidazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine

C67H108N11OS+ — CID 157090308

About 3,5-dimethyl-4-(2-methylpropyl)-1,2-oxazole;1-(3-methylbutyl)pyrrole;1-methyl-4-(2-methylpropyl)imidazole;2-methyl-4-(2-methylpropyl)thiadiazol-2-ium;5-(2-methylpropyl)-1H-imidazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine

3,5-dimethyl-4-(2-methylpropyl)-1,2-oxazole;1-(3-methylbutyl)pyrrole;1-methyl-4-(2-methylpropyl)imidazole;2-methyl-4-(2-methylpropyl)thiadiazol-2-ium;5-(2-methylpropyl)-1H-imidazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine (PubChem CID 157090308) has the molecular formula C67H108N11OS+ and a molecular weight of 1115.74 g/mol. Its IUPAC name is 3,5-dimethyl-4-(2-methylpropyl)-1,2-oxazole;1-(3-methylbutyl)pyrrole;1-methyl-4-(2-methylpropyl)imidazole;2-methyl-4-(2-methylpropyl)thiadiazol-2-ium;5-(2-methylpropyl)-1H-imidazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine.

Molecular Properties

• Compound Name: 3,5-dimethyl-4-(2-methylpropyl)-1,2-oxazole;1-(3-methylbutyl)pyrrole;1-methyl-4-(2-methylpropyl)imidazole;2-methyl-4-(2-methylpropyl)thiadiazol-2-ium;5-(2-methylpropyl)-1H-imidazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine
• PubChem CID: 157090308
• Molecular Formula: C67H108N11OS+
• Molecular Weight: 1115.74 g/mol
• Exact Mass: 1114.85
• IUPAC Name: 3,5-dimethyl-4-(2-methylpropyl)-1,2-oxazole;1-(3-methylbutyl)pyrrole;1-methyl-4-(2-methylpropyl)imidazole;2-methyl-4-(2-methylpropyl)thiadiazol-2-ium;5-(2-methylpropyl)-1H-imidazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine
• SMILES: CC(C)CCn1cccc1.CC(C)Cc1ccccn1.CC(C)Cc1cccnc1.CC(C)Cc1ccncc1.CC(C)Cc1cn(C)cn1.CC(C)Cc1cnc[nH]1.CC(C)Cc1cs[n+](C)n1.Cc1noc(C)c1CC(C)C
• InChI: InChI=1S/C9H15NO.C9H13N.C9H15N.2C9H13N.C8H14N2.C7H13N2S.C7H12N2/c1-6(2)5-9-7(3)10-11-8(9)4;1-8(2)7-9-3-5-10-6-4-9;1-9(2)5-8-10-6-3-4-7-10;1-8(2)6-9-4-3-5-10-7-9;1-8(2)7-9-5-3-4-6-10-9;1-7(2)4-8-5-10(3)6-9-8;1-6(2)4-7-5-10-9(3)8-7;1-6(2)3-7-4-8-5-9-7/h6H,5H2,1-4H3;3-6,8H,7H2,1-2H3;3-4,6-7,9H,5,8H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-6,8H,7H2,1-2H3;5-7H,4H2,1-3H3;5-6H,4H2,1-3H3;4-6H,3H2,1-2H3,(H,8,9)/q;;;;;;+1
• InChIKey: QEKROSYTNQQPSQ-UHFFFAOYSA-N
• XLogP: 16.26
• TPSA: 132.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 17
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1115.74
LogP ≤ 5	16.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-(2-methylpropyl)-1,2-oxazole;1-(3-methylbutyl)pyrrole;1-methyl-4-(2-methylpropyl)imidazole;2-methyl-4-(2-methylpropyl)thiadiazol-2-ium;5-(2-methylpropyl)-1H-imidazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine?

The IUPAC name of 3,5-dimethyl-4-(2-methylpropyl)-1,2-oxazole;1-(3-methylbutyl)pyrrole;1-methyl-4-(2-methylpropyl)imidazole;2-methyl-4-(2-methylpropyl)thiadiazol-2-ium;5-(2-methylpropyl)-1H-imidazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine (CID 157090308) is 3,5-dimethyl-4-(2-methylpropyl)-1,2-oxazole;1-(3-methylbutyl)pyrrole;1-methyl-4-(2-methylpropyl)imidazole;2-methyl-4-(2-methylpropyl)thiadiazol-2-ium;5-(2-methylpropyl)-1H-imidazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine.

What is the SMILES notation for 3,5-dimethyl-4-(2-methylpropyl)-1,2-oxazole;1-(3-methylbutyl)pyrrole;1-methyl-4-(2-methylpropyl)imidazole;2-methyl-4-(2-methylpropyl)thiadiazol-2-ium;5-(2-methylpropyl)-1H-imidazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine?

The canonical SMILES for 3,5-dimethyl-4-(2-methylpropyl)-1,2-oxazole;1-(3-methylbutyl)pyrrole;1-methyl-4-(2-methylpropyl)imidazole;2-methyl-4-(2-methylpropyl)thiadiazol-2-ium;5-(2-methylpropyl)-1H-imidazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine is CC(C)CCn1cccc1.CC(C)Cc1ccccn1.CC(C)Cc1cccnc1.CC(C)Cc1ccncc1.CC(C)Cc1cn(C)cn1.CC(C)Cc1cnc[nH]1.CC(C)Cc1cs[n+](C)n1.Cc1noc(C)c1CC(C)C.

What is the InChIKey of 3,5-dimethyl-4-(2-methylpropyl)-1,2-oxazole;1-(3-methylbutyl)pyrrole;1-methyl-4-(2-methylpropyl)imidazole;2-methyl-4-(2-methylpropyl)thiadiazol-2-ium;5-(2-methylpropyl)-1H-imidazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine?

The InChIKey is QEKROSYTNQQPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO.C9H13N.C9H15N.2C9H13N.C8H14N2.C7H13N2S.C7H12N2/c1-6(2)5-9-7(3)10-11-8(9)4;1-8(2)7-9-3-5-10-6-4-9;1-9(2)5-8-10-6-3-4-7-10;1-8(2)6-9-4-3-5-10-7-9;1-8(2)7-9-5-3-4-6-10-9;1-7(2)4-8-5-10(3)6-9-8;1-6(2)4-7-5-10-9(3)8-7;1-6(2)3-7-4-8-5-9-7/h6H,5H2,1-4H3;3-6,8H,7H2,1-2H3;3-4,6-7,9H,5,8H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-6,8H,7H2,1-2H3;5-7H,4H2,1-3H3;5-6H,4H2,1-3H3;4-6H,3H2,1-2H3,(H,8,9)/q;;;;;;+1;.

What are the key properties of 3,5-dimethyl-4-(2-methylpropyl)-1,2-oxazole;1-(3-methylbutyl)pyrrole;1-methyl-4-(2-methylpropyl)imidazole;2-methyl-4-(2-methylpropyl)thiadiazol-2-ium;5-(2-methylpropyl)-1H-imidazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine?

3,5-dimethyl-4-(2-methylpropyl)-1,2-oxazole;1-(3-methylbutyl)pyrrole;1-methyl-4-(2-methylpropyl)imidazole;2-methyl-4-(2-methylpropyl)thiadiazol-2-ium;5-(2-methylpropyl)-1H-imidazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine has a molecular weight of 1115.74 g/mol, XLogP of 16.26, 17 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dimethyl-4-(2-methylpropyl)-1,2-oxazole;1-(3-methylbutyl)pyrrole;1-methyl-4-(2-methylpropyl)imidazole;2-methyl-4-(2-methylpropyl)thiadiazol-2-ium;5-(2-methylpropyl)-1H-imidazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine is sourced from PubChem (CID 157090308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).