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

C61H102N8O3S2 — CID 159680905

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

1-(3,3-dimethylbutyl)imidazole;2-(2,2-dimethylpropyl)-1-methylimidazole;2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;5-(2,2-dimethylpropyl)-1,2-oxazole;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene (PubChem CID 159680905) has the molecular formula C61H102N8O3S2 and a molecular weight of 1059.67 g/mol. Its IUPAC name is 1-(3,3-dimethylbutyl)imidazole;2-(2,2-dimethylpropyl)-1-methylimidazole;2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;5-(2,2-dimethylpropyl)-1,2-oxazole;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene.

Molecular Properties

• Compound Name: 1-(3,3-dimethylbutyl)imidazole;2-(2,2-dimethylpropyl)-1-methylimidazole;2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;5-(2,2-dimethylpropyl)-1,2-oxazole;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene
• PubChem CID: 159680905
• Molecular Formula: C61H102N8O3S2
• Molecular Weight: 1059.67 g/mol
• Exact Mass: 1058.75
• IUPAC Name: 1-(3,3-dimethylbutyl)imidazole;2-(2,2-dimethylpropyl)-1-methylimidazole;2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;5-(2,2-dimethylpropyl)-1,2-oxazole;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene
• SMILES: CC(C)(C)CCn1ccnc1.CC(C)(C)Cc1cccs1.CC(C)(C)Cc1ccno1.CC(C)(C)Cc1ccsc1.Cc1cc(CC(C)(C)C)no1.Cc1nnc(CC(C)(C)C)o1.Cn1ccnc1CC(C)(C)C
• InChI: InChI=1S/2C9H16N2.C9H15NO.2C9H14S.C8H14N2O.C8H13NO/c1-9(2,3)7-8-10-5-6-11(8)4;1-9(2,3)4-6-11-7-5-10-8-11;1-7-5-8(10-11-7)6-9(2,3)4;1-9(2,3)6-8-4-5-10-7-8;1-9(2,3)7-8-5-4-6-10-8;1-6-9-10-7(11-6)5-8(2,3)4;1-8(2,3)6-7-4-5-9-10-7/h5-6H,7H2,1-4H3;5,7-8H,4,6H2,1-3H3;5H,6H2,1-4H3;4-5,7H,6H2,1-3H3;4-6H,7H2,1-3H3;5H2,1-4H3;4-5H,6H2,1-3H3
• InChIKey: MVEUQEVDRYNFBY-UHFFFAOYSA-N
• XLogP: 17.80
• TPSA: 126.62 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 8
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1059.67
LogP ≤ 5	17.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

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

The IUPAC name of 1-(3,3-dimethylbutyl)imidazole;2-(2,2-dimethylpropyl)-1-methylimidazole;2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;5-(2,2-dimethylpropyl)-1,2-oxazole;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene (CID 159680905) is 1-(3,3-dimethylbutyl)imidazole;2-(2,2-dimethylpropyl)-1-methylimidazole;2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;5-(2,2-dimethylpropyl)-1,2-oxazole;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene.

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

The canonical SMILES for 1-(3,3-dimethylbutyl)imidazole;2-(2,2-dimethylpropyl)-1-methylimidazole;2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;5-(2,2-dimethylpropyl)-1,2-oxazole;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene is CC(C)(C)CCn1ccnc1.CC(C)(C)Cc1cccs1.CC(C)(C)Cc1ccno1.CC(C)(C)Cc1ccsc1.Cc1cc(CC(C)(C)C)no1.Cc1nnc(CC(C)(C)C)o1.Cn1ccnc1CC(C)(C)C.

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

The InChIKey is MVEUQEVDRYNFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H16N2.C9H15NO.2C9H14S.C8H14N2O.C8H13NO/c1-9(2,3)7-8-10-5-6-11(8)4;1-9(2,3)4-6-11-7-5-10-8-11;1-7-5-8(10-11-7)6-9(2,3)4;1-9(2,3)6-8-4-5-10-7-8;1-9(2,3)7-8-5-4-6-10-8;1-6-9-10-7(11-6)5-8(2,3)4;1-8(2,3)6-7-4-5-9-10-7/h5-6H,7H2,1-4H3;5,7-8H,4,6H2,1-3H3;5H,6H2,1-4H3;4-5,7H,6H2,1-3H3;4-6H,7H2,1-3H3;5H2,1-4H3;4-5H,6H2,1-3H3.

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

1-(3,3-dimethylbutyl)imidazole;2-(2,2-dimethylpropyl)-1-methylimidazole;2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;5-(2,2-dimethylpropyl)-1,2-oxazole;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene has a molecular weight of 1059.67 g/mol, XLogP of 17.80, 8 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3,3-dimethylbutyl)imidazole;2-(2,2-dimethylpropyl)-1-methylimidazole;2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;5-(2,2-dimethylpropyl)-1,2-oxazole;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene is sourced from PubChem (CID 159680905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).