1-(3,3-dimethylbutyl)imidazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)pyridine;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;1-methyl-5-(2-methylpropyl)imidazole;4-methyl-2-(2-methylpropyl)-1,3-oxazole;2-(2-methylpropyl)-1,3-oxazole

C66H111N13O3 — CID 158146010

About 1-(3,3-dimethylbutyl)imidazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)pyridine;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;1-methyl-5-(2-methylpropyl)imidazole;4-methyl-2-(2-methylpropyl)-1,3-oxazole;2-(2-methylpropyl)-1,3-oxazole

1-(3,3-dimethylbutyl)imidazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)pyridine;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;1-methyl-5-(2-methylpropyl)imidazole;4-methyl-2-(2-methylpropyl)-1,3-oxazole;2-(2-methylpropyl)-1,3-oxazole (PubChem CID 158146010) has the molecular formula C66H111N13O3 and a molecular weight of 1134.70 g/mol. Its IUPAC name is 1-(3,3-dimethylbutyl)imidazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)pyridine;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;1-methyl-5-(2-methylpropyl)imidazole;4-methyl-2-(2-methylpropyl)-1,3-oxazole;2-(2-methylpropyl)-1,3-oxazole.

Molecular Properties

• Compound Name: 1-(3,3-dimethylbutyl)imidazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)pyridine;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;1-methyl-5-(2-methylpropyl)imidazole;4-methyl-2-(2-methylpropyl)-1,3-oxazole;2-(2-methylpropyl)-1,3-oxazole
• PubChem CID: 158146010
• Molecular Formula: C66H111N13O3
• Molecular Weight: 1134.70 g/mol
• Exact Mass: 1133.89
• IUPAC Name: 1-(3,3-dimethylbutyl)imidazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)pyridine;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;1-methyl-5-(2-methylpropyl)imidazole;4-methyl-2-(2-methylpropyl)-1,3-oxazole;2-(2-methylpropyl)-1,3-oxazole
• SMILES: CC(C)(C)CCn1ccnc1.CC(C)(C)Cc1cccnc1.CC(C)Cc1cn(C)cn1.CC(C)Cc1cncn1C.CC(C)Cc1nccn1C.CC(C)Cc1ncco1.Cc1coc(CC(C)C)n1.Cc1noc(CC(C)(C)C)n1
• InChI: InChI=1S/C10H15N.C9H16N2.C8H14N2O.3C8H14N2.C8H13NO.C7H11NO/c1-10(2,3)7-9-5-4-6-11-8-9;1-9(2,3)4-6-11-7-5-10-8-11;1-6-9-7(11-10-6)5-8(2,3)4;1-7(2)4-8-5-10(3)6-9-8;1-7(2)4-8-5-9-6-10(8)3;1-7(2)6-8-9-4-5-10(8)3;1-6(2)4-8-9-7(3)5-10-8;1-6(2)5-7-8-3-4-9-7/h4-6,8H,7H2,1-3H3;5,7-8H,4,6H2,1-3H3;5H2,1-4H3;2*5-7H,4H2,1-3H3;4-5,7H,6H2,1-3H3;5-6H,4H2,1-3H3;3-4,6H,5H2,1-2H3
• InChIKey: FUNHBIMKHXWVBG-UHFFFAOYSA-N
• XLogP: 15.87
• TPSA: 175.15 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 14
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1134.70
LogP ≤ 5	15.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutyl)imidazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)pyridine;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;1-methyl-5-(2-methylpropyl)imidazole;4-methyl-2-(2-methylpropyl)-1,3-oxazole;2-(2-methylpropyl)-1,3-oxazole?

The IUPAC name of 1-(3,3-dimethylbutyl)imidazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)pyridine;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;1-methyl-5-(2-methylpropyl)imidazole;4-methyl-2-(2-methylpropyl)-1,3-oxazole;2-(2-methylpropyl)-1,3-oxazole (CID 158146010) is 1-(3,3-dimethylbutyl)imidazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)pyridine;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;1-methyl-5-(2-methylpropyl)imidazole;4-methyl-2-(2-methylpropyl)-1,3-oxazole;2-(2-methylpropyl)-1,3-oxazole.

What is the SMILES notation for 1-(3,3-dimethylbutyl)imidazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)pyridine;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;1-methyl-5-(2-methylpropyl)imidazole;4-methyl-2-(2-methylpropyl)-1,3-oxazole;2-(2-methylpropyl)-1,3-oxazole?

The canonical SMILES for 1-(3,3-dimethylbutyl)imidazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)pyridine;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;1-methyl-5-(2-methylpropyl)imidazole;4-methyl-2-(2-methylpropyl)-1,3-oxazole;2-(2-methylpropyl)-1,3-oxazole is CC(C)(C)CCn1ccnc1.CC(C)(C)Cc1cccnc1.CC(C)Cc1cn(C)cn1.CC(C)Cc1cncn1C.CC(C)Cc1nccn1C.CC(C)Cc1ncco1.Cc1coc(CC(C)C)n1.Cc1noc(CC(C)(C)C)n1.

What is the InChIKey of 1-(3,3-dimethylbutyl)imidazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)pyridine;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;1-methyl-5-(2-methylpropyl)imidazole;4-methyl-2-(2-methylpropyl)-1,3-oxazole;2-(2-methylpropyl)-1,3-oxazole?

The InChIKey is FUNHBIMKHXWVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.C9H16N2.C8H14N2O.3C8H14N2.C8H13NO.C7H11NO/c1-10(2,3)7-9-5-4-6-11-8-9;1-9(2,3)4-6-11-7-5-10-8-11;1-6-9-7(11-10-6)5-8(2,3)4;1-7(2)4-8-5-10(3)6-9-8;1-7(2)4-8-5-9-6-10(8)3;1-7(2)6-8-9-4-5-10(8)3;1-6(2)4-8-9-7(3)5-10-8;1-6(2)5-7-8-3-4-9-7/h4-6,8H,7H2,1-3H3;5,7-8H,4,6H2,1-3H3;5H2,1-4H3;2*5-7H,4H2,1-3H3;4-5,7H,6H2,1-3H3;5-6H,4H2,1-3H3;3-4,6H,5H2,1-2H3.

What are the key properties of 1-(3,3-dimethylbutyl)imidazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)pyridine;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;1-methyl-5-(2-methylpropyl)imidazole;4-methyl-2-(2-methylpropyl)-1,3-oxazole;2-(2-methylpropyl)-1,3-oxazole?

1-(3,3-dimethylbutyl)imidazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)pyridine;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;1-methyl-5-(2-methylpropyl)imidazole;4-methyl-2-(2-methylpropyl)-1,3-oxazole;2-(2-methylpropyl)-1,3-oxazole has a molecular weight of 1134.70 g/mol, XLogP of 15.87, 14 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3,3-dimethylbutyl)imidazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)pyridine;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;1-methyl-5-(2-methylpropyl)imidazole;4-methyl-2-(2-methylpropyl)-1,3-oxazole;2-(2-methylpropyl)-1,3-oxazole is sourced from PubChem (CID 158146010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).