3,4-dimethyl-1,2,5-oxadiazole;4,5-dimethylthiadiazole;tris(2,4,5-trimethyl-1,3-oxazole);bis(3,4,5-trimethyl-1,2-oxazole);2,4,5-trimethyl-1,3-thiazole;bis(3,4,5-trimethyl-1,2-thiazole)

C56H84N12O6S4 — CID 159574880

About 3,4-dimethyl-1,2,5-oxadiazole;4,5-dimethylthiadiazole;tris(2,4,5-trimethyl-1,3-oxazole);bis(3,4,5-trimethyl-1,2-oxazole);2,4,5-trimethyl-1,3-thiazole;bis(3,4,5-trimethyl-1,2-thiazole)

3,4-dimethyl-1,2,5-oxadiazole;4,5-dimethylthiadiazole;tris(2,4,5-trimethyl-1,3-oxazole);bis(3,4,5-trimethyl-1,2-oxazole);2,4,5-trimethyl-1,3-thiazole;bis(3,4,5-trimethyl-1,2-thiazole) (PubChem CID 159574880) has the molecular formula C56H84N12O6S4 and a molecular weight of 1149.63 g/mol. Its IUPAC name is 3,4-dimethyl-1,2,5-oxadiazole;4,5-dimethylthiadiazole;tris(2,4,5-trimethyl-1,3-oxazole);bis(3,4,5-trimethyl-1,2-oxazole);2,4,5-trimethyl-1,3-thiazole;bis(3,4,5-trimethyl-1,2-thiazole).

Molecular Properties

• Compound Name: 3,4-dimethyl-1,2,5-oxadiazole;4,5-dimethylthiadiazole;tris(2,4,5-trimethyl-1,3-oxazole);bis(3,4,5-trimethyl-1,2-oxazole);2,4,5-trimethyl-1,3-thiazole;bis(3,4,5-trimethyl-1,2-thiazole)
• PubChem CID: 159574880
• Molecular Formula: C56H84N12O6S4
• Molecular Weight: 1149.63 g/mol
• Exact Mass: 1148.55
• IUPAC Name: 3,4-dimethyl-1,2,5-oxadiazole;4,5-dimethylthiadiazole;tris(2,4,5-trimethyl-1,3-oxazole);bis(3,4,5-trimethyl-1,2-oxazole);2,4,5-trimethyl-1,3-thiazole;bis(3,4,5-trimethyl-1,2-thiazole)
• SMILES: Cc1nc(C)c(C)o1.Cc1nc(C)c(C)o1.Cc1nc(C)c(C)o1.Cc1nc(C)c(C)s1.Cc1nnsc1C.Cc1noc(C)c1C.Cc1noc(C)c1C.Cc1nonc1C.Cc1nsc(C)c1C.Cc1nsc(C)c1C
• InChI: InChI=1S/5C6H9NO.3C6H9NS.C4H6N2O.C4H6N2S/c3*1-4-5(2)8-6(3)7-4;2*1-4-5(2)7-8-6(4)3;1-4-5(2)8-6(3)7-4;2*1-4-5(2)7-8-6(4)3;1-3-4(2)6-7-5-3;1-3-4(2)7-6-5-3/h8*1-3H3;2*1-2H3
• InChIKey: MIGUUAAFYGYSJL-UHFFFAOYSA-N
• XLogP: 16.05
• TPSA: 233.52 Ų
• H-Bond Acceptors: 22
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1149.63
LogP ≤ 5	16.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

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

The IUPAC name of 3,4-dimethyl-1,2,5-oxadiazole;4,5-dimethylthiadiazole;tris(2,4,5-trimethyl-1,3-oxazole);bis(3,4,5-trimethyl-1,2-oxazole);2,4,5-trimethyl-1,3-thiazole;bis(3,4,5-trimethyl-1,2-thiazole) (CID 159574880) is 3,4-dimethyl-1,2,5-oxadiazole;4,5-dimethylthiadiazole;tris(2,4,5-trimethyl-1,3-oxazole);bis(3,4,5-trimethyl-1,2-oxazole);2,4,5-trimethyl-1,3-thiazole;bis(3,4,5-trimethyl-1,2-thiazole).

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

The canonical SMILES for 3,4-dimethyl-1,2,5-oxadiazole;4,5-dimethylthiadiazole;tris(2,4,5-trimethyl-1,3-oxazole);bis(3,4,5-trimethyl-1,2-oxazole);2,4,5-trimethyl-1,3-thiazole;bis(3,4,5-trimethyl-1,2-thiazole) is Cc1nc(C)c(C)o1.Cc1nc(C)c(C)o1.Cc1nc(C)c(C)o1.Cc1nc(C)c(C)s1.Cc1nnsc1C.Cc1noc(C)c1C.Cc1noc(C)c1C.Cc1nonc1C.Cc1nsc(C)c1C.Cc1nsc(C)c1C.

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

The InChIKey is MIGUUAAFYGYSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/5C6H9NO.3C6H9NS.C4H6N2O.C4H6N2S/c3*1-4-5(2)8-6(3)7-4;2*1-4-5(2)7-8-6(4)3;1-4-5(2)8-6(3)7-4;2*1-4-5(2)7-8-6(4)3;1-3-4(2)6-7-5-3;1-3-4(2)7-6-5-3/h8*1-3H3;2*1-2H3.

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

3,4-dimethyl-1,2,5-oxadiazole;4,5-dimethylthiadiazole;tris(2,4,5-trimethyl-1,3-oxazole);bis(3,4,5-trimethyl-1,2-oxazole);2,4,5-trimethyl-1,3-thiazole;bis(3,4,5-trimethyl-1,2-thiazole) has a molecular weight of 1149.63 g/mol, XLogP of 16.05, 0 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4-dimethyl-1,2,5-oxadiazole;4,5-dimethylthiadiazole;tris(2,4,5-trimethyl-1,3-oxazole);bis(3,4,5-trimethyl-1,2-oxazole);2,4,5-trimethyl-1,3-thiazole;bis(3,4,5-trimethyl-1,2-thiazole) is sourced from PubChem (CID 159574880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).