2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,5-dimethyl-1,3,4-thiadiazole;5-methyloxatriazole;2,4,5-trimethyl-1,3-oxazole

C24H36N12O5S — CID 158379581

About 2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,5-dimethyl-1,3,4-thiadiazole;5-methyloxatriazole;2,4,5-trimethyl-1,3-oxazole

2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,5-dimethyl-1,3,4-thiadiazole;5-methyloxatriazole;2,4,5-trimethyl-1,3-oxazole (PubChem CID 158379581) has the molecular formula C24H36N12O5S and a molecular weight of 604.70 g/mol. Its IUPAC name is 2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,5-dimethyl-1,3,4-thiadiazole;5-methyloxatriazole;2,4,5-trimethyl-1,3-oxazole.

Molecular Properties

• Compound Name: 2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,5-dimethyl-1,3,4-thiadiazole;5-methyloxatriazole;2,4,5-trimethyl-1,3-oxazole
• PubChem CID: 158379581
• Molecular Formula: C24H36N12O5S
• Molecular Weight: 604.70 g/mol
• Exact Mass: 604.27
• IUPAC Name: 2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,5-dimethyl-1,3,4-thiadiazole;5-methyloxatriazole;2,4,5-trimethyl-1,3-oxazole
• SMILES: Cc1nc(C)c(C)o1.Cc1nnc(C)o1.Cc1nnc(C)s1.Cc1nnno1.Cc1noc(C)n1.Cc1noc(C)n1
• InChI: InChI=1S/C6H9NO.3C4H6N2O.C4H6N2S.C2H3N3O/c1-4-5(2)8-6(3)7-4;1-3-5-6-4(2)7-3;2*1-3-5-4(2)7-6-3;1-3-5-6-4(2)7-3;1-2-3-4-5-6-2/h1-3H3;4*1-2H3;1H3
• InChIKey: GVPVHCIRTBKPKG-UHFFFAOYSA-N
• XLogP: 4.59
• TPSA: 220.38 Ų
• H-Bond Acceptors: 18
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	604.70
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,5-dimethyl-1,3,4-thiadiazole;5-methyloxatriazole;2,4,5-trimethyl-1,3-oxazole?

The IUPAC name of 2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,5-dimethyl-1,3,4-thiadiazole;5-methyloxatriazole;2,4,5-trimethyl-1,3-oxazole (CID 158379581) is 2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,5-dimethyl-1,3,4-thiadiazole;5-methyloxatriazole;2,4,5-trimethyl-1,3-oxazole.

What is the SMILES notation for 2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,5-dimethyl-1,3,4-thiadiazole;5-methyloxatriazole;2,4,5-trimethyl-1,3-oxazole?

The canonical SMILES for 2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,5-dimethyl-1,3,4-thiadiazole;5-methyloxatriazole;2,4,5-trimethyl-1,3-oxazole is Cc1nc(C)c(C)o1.Cc1nnc(C)o1.Cc1nnc(C)s1.Cc1nnno1.Cc1noc(C)n1.Cc1noc(C)n1.

What is the InChIKey of 2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,5-dimethyl-1,3,4-thiadiazole;5-methyloxatriazole;2,4,5-trimethyl-1,3-oxazole?

The InChIKey is GVPVHCIRTBKPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO.3C4H6N2O.C4H6N2S.C2H3N3O/c1-4-5(2)8-6(3)7-4;1-3-5-6-4(2)7-3;2*1-3-5-4(2)7-6-3;1-3-5-6-4(2)7-3;1-2-3-4-5-6-2/h1-3H3;4*1-2H3;1H3.

What are the key properties of 2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,5-dimethyl-1,3,4-thiadiazole;5-methyloxatriazole;2,4,5-trimethyl-1,3-oxazole?

2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,5-dimethyl-1,3,4-thiadiazole;5-methyloxatriazole;2,4,5-trimethyl-1,3-oxazole has a molecular weight of 604.70 g/mol, XLogP of 4.59, 0 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,5-dimethyl-1,3,4-thiadiazole;5-methyloxatriazole;2,4,5-trimethyl-1,3-oxazole is sourced from PubChem (CID 158379581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).