5-(2,2-dimethylpropyl)-2-methylidene-1,3-oxazolidine;2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3,4-thiadiazole;5-(2,2-dimethylpropyl)-1,2-oxazole;3-(2,2-dimethylpropyl)pyridine;ethane

C47H85N7O3S — CID 161029779

About 5-(2,2-dimethylpropyl)-2-methylidene-1,3-oxazolidine;2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3,4-thiadiazole;5-(2,2-dimethylpropyl)-1,2-oxazole;3-(2,2-dimethylpropyl)pyridine;ethane

5-(2,2-dimethylpropyl)-2-methylidene-1,3-oxazolidine;2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3,4-thiadiazole;5-(2,2-dimethylpropyl)-1,2-oxazole;3-(2,2-dimethylpropyl)pyridine;ethane (PubChem CID 161029779) has the molecular formula C47H85N7O3S and a molecular weight of 828.31 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-2-methylidene-1,3-oxazolidine;2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3,4-thiadiazole;5-(2,2-dimethylpropyl)-1,2-oxazole;3-(2,2-dimethylpropyl)pyridine;ethane.

Molecular Properties

• Compound Name: 5-(2,2-dimethylpropyl)-2-methylidene-1,3-oxazolidine;2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3,4-thiadiazole;5-(2,2-dimethylpropyl)-1,2-oxazole;3-(2,2-dimethylpropyl)pyridine;ethane
• PubChem CID: 161029779
• Molecular Formula: C47H85N7O3S
• Molecular Weight: 828.31 g/mol
• Exact Mass: 827.64
• IUPAC Name: 5-(2,2-dimethylpropyl)-2-methylidene-1,3-oxazolidine;2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3,4-thiadiazole;5-(2,2-dimethylpropyl)-1,2-oxazole;3-(2,2-dimethylpropyl)pyridine;ethane
• SMILES: C=C1NCC(CC(C)(C)C)O1.CC.CC.CC(C)(C)Cc1cccnc1.CC(C)(C)Cc1ccno1.Cc1nnc(CC(C)(C)C)o1.Cc1nnc(CC(C)(C)C)s1
• InChI: InChI=1S/C10H15N.C9H17NO.C8H14N2O.C8H14N2S.C8H13NO.2C2H6/c1-10(2,3)7-9-5-4-6-11-8-9;1-7-10-6-8(11-7)5-9(2,3)4;2*1-6-9-10-7(11-6)5-8(2,3)4;1-8(2,3)6-7-4-5-9-10-7;2*1-2/h4-6,8H,7H2,1-3H3;8,10H,1,5-6H2,2-4H3;2*5H2,1-4H3;4-5H,6H2,1-3H3;2*1-2H3
• InChIKey: TZLKNGFFPMCUMA-UHFFFAOYSA-N
• XLogP: 13.27
• TPSA: 124.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	828.31
LogP ≤ 5	13.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-2-methylidene-1,3-oxazolidine;2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3,4-thiadiazole;5-(2,2-dimethylpropyl)-1,2-oxazole;3-(2,2-dimethylpropyl)pyridine;ethane?

The IUPAC name of 5-(2,2-dimethylpropyl)-2-methylidene-1,3-oxazolidine;2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3,4-thiadiazole;5-(2,2-dimethylpropyl)-1,2-oxazole;3-(2,2-dimethylpropyl)pyridine;ethane (CID 161029779) is 5-(2,2-dimethylpropyl)-2-methylidene-1,3-oxazolidine;2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3,4-thiadiazole;5-(2,2-dimethylpropyl)-1,2-oxazole;3-(2,2-dimethylpropyl)pyridine;ethane.

What is the SMILES notation for 5-(2,2-dimethylpropyl)-2-methylidene-1,3-oxazolidine;2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3,4-thiadiazole;5-(2,2-dimethylpropyl)-1,2-oxazole;3-(2,2-dimethylpropyl)pyridine;ethane?

The canonical SMILES for 5-(2,2-dimethylpropyl)-2-methylidene-1,3-oxazolidine;2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3,4-thiadiazole;5-(2,2-dimethylpropyl)-1,2-oxazole;3-(2,2-dimethylpropyl)pyridine;ethane is C=C1NCC(CC(C)(C)C)O1.CC.CC.CC(C)(C)Cc1cccnc1.CC(C)(C)Cc1ccno1.Cc1nnc(CC(C)(C)C)o1.Cc1nnc(CC(C)(C)C)s1.

What is the InChIKey of 5-(2,2-dimethylpropyl)-2-methylidene-1,3-oxazolidine;2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3,4-thiadiazole;5-(2,2-dimethylpropyl)-1,2-oxazole;3-(2,2-dimethylpropyl)pyridine;ethane?

The InChIKey is TZLKNGFFPMCUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.C9H17NO.C8H14N2O.C8H14N2S.C8H13NO.2C2H6/c1-10(2,3)7-9-5-4-6-11-8-9;1-7-10-6-8(11-7)5-9(2,3)4;2*1-6-9-10-7(11-6)5-8(2,3)4;1-8(2,3)6-7-4-5-9-10-7;2*1-2/h4-6,8H,7H2,1-3H3;8,10H,1,5-6H2,2-4H3;2*5H2,1-4H3;4-5H,6H2,1-3H3;2*1-2H3.

What are the key properties of 5-(2,2-dimethylpropyl)-2-methylidene-1,3-oxazolidine;2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3,4-thiadiazole;5-(2,2-dimethylpropyl)-1,2-oxazole;3-(2,2-dimethylpropyl)pyridine;ethane?

5-(2,2-dimethylpropyl)-2-methylidene-1,3-oxazolidine;2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3,4-thiadiazole;5-(2,2-dimethylpropyl)-1,2-oxazole;3-(2,2-dimethylpropyl)pyridine;ethane has a molecular weight of 828.31 g/mol, XLogP of 13.27, 5 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,2-dimethylpropyl)-2-methylidene-1,3-oxazolidine;2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3,4-thiadiazole;5-(2,2-dimethylpropyl)-1,2-oxazole;3-(2,2-dimethylpropyl)pyridine;ethane is sourced from PubChem (CID 161029779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).