2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;1,4-dimethylpiperidine;2-methylpropane

C29H51N7O4 — CID 157049384

About 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;1,4-dimethylpiperidine;2-methylpropane

2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;1,4-dimethylpiperidine;2-methylpropane (PubChem CID 157049384) has the molecular formula C29H51N7O4 and a molecular weight of 561.77 g/mol. Its IUPAC name is 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;1,4-dimethylpiperidine;2-methylpropane.

Molecular Properties

• Compound Name: 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;1,4-dimethylpiperidine;2-methylpropane
• PubChem CID: 157049384
• Molecular Formula: C29H51N7O4
• Molecular Weight: 561.77 g/mol
• Exact Mass: 561.40
• IUPAC Name: 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;1,4-dimethylpiperidine;2-methylpropane
• SMILES: CC(C)C.CC1CCN(C)CC1.Cc1cc(C)on1.Cc1coc(C)n1.Cc1nnc(C)o1.Cc1noc(C)n1
• InChI: InChI=1S/C7H15N.2C5H7NO.2C4H6N2O.C4H10/c1-7-3-5-8(2)6-4-7;1-4-3-7-5(2)6-4;1-4-3-5(2)7-6-4;1-3-5-6-4(2)7-3;1-3-5-4(2)7-6-3;1-4(2)3/h7H,3-6H2,1-2H3;2*3H,1-2H3;2*1-2H3;4H,1-3H3
• InChIKey: AAADUCYXZBFGHL-UHFFFAOYSA-N
• XLogP: 6.97
• TPSA: 133.14 Ų
• H-Bond Acceptors: 11
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	561.77
LogP ≤ 5	6.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;1,4-dimethylpiperidine;2-methylpropane?

The IUPAC name of 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;1,4-dimethylpiperidine;2-methylpropane (CID 157049384) is 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;1,4-dimethylpiperidine;2-methylpropane.

What is the SMILES notation for 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;1,4-dimethylpiperidine;2-methylpropane?

The canonical SMILES for 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;1,4-dimethylpiperidine;2-methylpropane is CC(C)C.CC1CCN(C)CC1.Cc1cc(C)on1.Cc1coc(C)n1.Cc1nnc(C)o1.Cc1noc(C)n1.

What is the InChIKey of 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;1,4-dimethylpiperidine;2-methylpropane?

The InChIKey is AAADUCYXZBFGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.2C5H7NO.2C4H6N2O.C4H10/c1-7-3-5-8(2)6-4-7;1-4-3-7-5(2)6-4;1-4-3-5(2)7-6-4;1-3-5-6-4(2)7-3;1-3-5-4(2)7-6-3;1-4(2)3/h7H,3-6H2,1-2H3;2*3H,1-2H3;2*1-2H3;4H,1-3H3.

What are the key properties of 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;1,4-dimethylpiperidine;2-methylpropane?

2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;1,4-dimethylpiperidine;2-methylpropane has a molecular weight of 561.77 g/mol, XLogP of 6.97, 0 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;1,4-dimethylpiperidine;2-methylpropane is sourced from PubChem (CID 157049384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).