Bis(2,5-dimethyl-1,3,4-oxadiazole);3,5-dimethyl-1,2,4-oxadiazole;3,4-dimethyl-1,2,4-oxadiazole-5-thione;3,5-dimethyl-1,3,4-oxadiazole-2-thione;3,4-dimethyl-1,2,4-oxadiazol-5-one;3,5-dimethyl-1,3,4-oxadiazol-2-one;2,5-dimethyl-1,3-oxazole;2,5-dimethyl-1,3,4-thiadiazole;3,4-dimethyl-1,2,4-thiadiazol-5-one;3,5-dimethyl-1,3,4-thiadiazol-2-one;2,4,5-trimethyl-1,3-oxazole

C₅₁H₇₆N₂₂O₁₃S₅ — CID 157312321

About Bis(2,5-dimethyl-1,3,4-oxadiazole);3,5-dimethyl-1,2,4-oxadiazole;3,4-dimethyl-1,2,4-oxadiazole-5-thione;3,5-dimethyl-1,3,4-oxadiazole-2-thione;3,4-dimethyl-1,2,4-oxadiazol-5-one;3,5-dimethyl-1,3,4-oxadiazol-2-one;2,5-dimethyl-1,3-oxazole;2,5-dimethyl-1,3,4-thiadiazole;3,4-dimethyl-1,2,4-thiadiazol-5-one;3,5-dimethyl-1,3,4-thiadiazol-2-one;2,4,5-trimethyl-1,3-oxazole

Bis(2,5-dimethyl-1,3,4-oxadiazole);3,5-dimethyl-1,2,4-oxadiazole;3,4-dimethyl-1,2,4-oxadiazole-5-thione;3,5-dimethyl-1,3,4-oxadiazole-2-thione;3,4-dimethyl-1,2,4-oxadiazol-5-one;3,5-dimethyl-1,3,4-oxadiazol-2-one;2,5-dimethyl-1,3-oxazole;2,5-dimethyl-1,3,4-thiadiazole;3,4-dimethyl-1,2,4-thiadiazol-5-one;3,5-dimethyl-1,3,4-thiadiazol-2-one;2,4,5-trimethyl-1,3-oxazole (PubChem CID 157312321) has the molecular formula C₅₁H₇₆N₂₂O₁₃S₅ and a molecular weight of 1365.64 g/mol. Its IUPAC name is bis(2,5-dimethyl-1,3,4-oxadiazole);3,5-dimethyl-1,2,4-oxadiazole;3,4-dimethyl-1,2,4-oxadiazole-5-thione;3,5-dimethyl-1,3,4-oxadiazole-2-thione;3,4-dimethyl-1,2,4-oxadiazol-5-one;3,5-dimethyl-1,3,4-oxadiazol-2-one;2,5-dimethyl-1,3-oxazole;2,5-dimethyl-1,3,4-thiadiazole;3,4-dimethyl-1,2,4-thiadiazol-5-one;3,5-dimethyl-1,3,4-thiadiazol-2-one;2,4,5-trimethyl-1,3-oxazole.

Molecular Properties

• Compound Name: Bis(2,5-dimethyl-1,3,4-oxadiazole);3,5-dimethyl-1,2,4-oxadiazole;3,4-dimethyl-1,2,4-oxadiazole-5-thione;3,5-dimethyl-1,3,4-oxadiazole-2-thione;3,4-dimethyl-1,2,4-oxadiazol-5-one;3,5-dimethyl-1,3,4-oxadiazol-2-one;2,5-dimethyl-1,3-oxazole;2,5-dimethyl-1,3,4-thiadiazole;3,4-dimethyl-1,2,4-thiadiazol-5-one;3,5-dimethyl-1,3,4-thiadiazol-2-one;2,4,5-trimethyl-1,3-oxazole
• PubChem CID: 157312321
• Molecular Formula: C₅₁H₇₆N₂₂O₁₃S₅
• Molecular Weight: 1365.64 g/mol
• Exact Mass: 1364.46
• IUPAC Name: bis(2,5-dimethyl-1,3,4-oxadiazole);3,5-dimethyl-1,2,4-oxadiazole;3,4-dimethyl-1,2,4-oxadiazole-5-thione;3,5-dimethyl-1,3,4-oxadiazole-2-thione;3,4-dimethyl-1,2,4-oxadiazol-5-one;3,5-dimethyl-1,3,4-oxadiazol-2-one;2,5-dimethyl-1,3-oxazole;2,5-dimethyl-1,3,4-thiadiazole;3,4-dimethyl-1,2,4-thiadiazol-5-one;3,5-dimethyl-1,3,4-thiadiazol-2-one;2,4,5-trimethyl-1,3-oxazole
• SMILES: Cc1cnc(C)o1.Cc1nc(C)c(C)o1.Cc1nn(C)c(=O)o1.Cc1nn(C)c(=O)s1.Cc1nn(C)c(=S)o1.Cc1nnc(C)o1.Cc1nnc(C)o1.Cc1nnc(C)s1.Cc1noc(=O)n1C.Cc1noc(=S)n1C.Cc1noc(C)n1.Cc1nsc(=O)n1C
• InChI: InChI=1S/C6H9NO.C5H7NO.2C4H6N2O2.4C4H6N2OS.3C4H6N2O.C4H6N2S/c1-4-5(2)8-6(3)7-4;1-4-3-6-5(2)7-4;1-3-5-6(2)4(7)8-3;1-3-5-8-4(7)6(3)2;1-3-5-6(2)4(7)8-3;1-3-5-6(2)4(8)7-3;1-3-5-8-4(7)6(3)2;1-3-5-7-4(8)6(3)2;2*1-3-5-6-4(2)7-3;1-3-5-4(2)7-6-3;1-3-5-6-4(2)7-3/h1-3H3;3H,1-2H3;6*1-2H3;4*1-2H3
• InChIKey: BDEKCYNUGOQKMK-UHFFFAOYSA-N
• XLogP: 7.87
• TPSA: 422.36 Ų
• H-Bond Acceptors: 40
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1365.64
LogP ≤ 5	7.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Bis(2,5-dimethyl-1,3,4-oxadiazole);3,5-dimethyl-1,2,4-oxadiazole;3,4-dimethyl-1,2,4-oxadiazole-5-thione;3,5-dimethyl-1,3,4-oxadiazole-2-thione;3,4-dimethyl-1,2,4-oxadiazol-5-one;3,5-dimethyl-1,3,4-oxadiazol-2-one;2,5-dimethyl-1,3-oxazole;2,5-dimethyl-1,3,4-thiadiazole;3,4-dimethyl-1,2,4-thiadiazol-5-one;3,5-dimethyl-1,3,4-thiadiazol-2-one;2,4,5-trimethyl-1,3-oxazole?

The IUPAC name of Bis(2,5-dimethyl-1,3,4-oxadiazole);3,5-dimethyl-1,2,4-oxadiazole;3,4-dimethyl-1,2,4-oxadiazole-5-thione;3,5-dimethyl-1,3,4-oxadiazole-2-thione;3,4-dimethyl-1,2,4-oxadiazol-5-one;3,5-dimethyl-1,3,4-oxadiazol-2-one;2,5-dimethyl-1,3-oxazole;2,5-dimethyl-1,3,4-thiadiazole;3,4-dimethyl-1,2,4-thiadiazol-5-one;3,5-dimethyl-1,3,4-thiadiazol-2-one;2,4,5-trimethyl-1,3-oxazole (CID 157312321) is bis(2,5-dimethyl-1,3,4-oxadiazole);3,5-dimethyl-1,2,4-oxadiazole;3,4-dimethyl-1,2,4-oxadiazole-5-thione;3,5-dimethyl-1,3,4-oxadiazole-2-thione;3,4-dimethyl-1,2,4-oxadiazol-5-one;3,5-dimethyl-1,3,4-oxadiazol-2-one;2,5-dimethyl-1,3-oxazole;2,5-dimethyl-1,3,4-thiadiazole;3,4-dimethyl-1,2,4-thiadiazol-5-one;3,5-dimethyl-1,3,4-thiadiazol-2-one;2,4,5-trimethyl-1,3-oxazole.

What is the SMILES notation for Bis(2,5-dimethyl-1,3,4-oxadiazole);3,5-dimethyl-1,2,4-oxadiazole;3,4-dimethyl-1,2,4-oxadiazole-5-thione;3,5-dimethyl-1,3,4-oxadiazole-2-thione;3,4-dimethyl-1,2,4-oxadiazol-5-one;3,5-dimethyl-1,3,4-oxadiazol-2-one;2,5-dimethyl-1,3-oxazole;2,5-dimethyl-1,3,4-thiadiazole;3,4-dimethyl-1,2,4-thiadiazol-5-one;3,5-dimethyl-1,3,4-thiadiazol-2-one;2,4,5-trimethyl-1,3-oxazole?

The canonical SMILES for Bis(2,5-dimethyl-1,3,4-oxadiazole);3,5-dimethyl-1,2,4-oxadiazole;3,4-dimethyl-1,2,4-oxadiazole-5-thione;3,5-dimethyl-1,3,4-oxadiazole-2-thione;3,4-dimethyl-1,2,4-oxadiazol-5-one;3,5-dimethyl-1,3,4-oxadiazol-2-one;2,5-dimethyl-1,3-oxazole;2,5-dimethyl-1,3,4-thiadiazole;3,4-dimethyl-1,2,4-thiadiazol-5-one;3,5-dimethyl-1,3,4-thiadiazol-2-one;2,4,5-trimethyl-1,3-oxazole is Cc1cnc(C)o1.Cc1nc(C)c(C)o1.Cc1nn(C)c(=O)o1.Cc1nn(C)c(=O)s1.Cc1nn(C)c(=S)o1.Cc1nnc(C)o1.Cc1nnc(C)o1.Cc1nnc(C)s1.Cc1noc(=O)n1C.Cc1noc(=S)n1C.Cc1noc(C)n1.Cc1nsc(=O)n1C.

What is the InChIKey of Bis(2,5-dimethyl-1,3,4-oxadiazole);3,5-dimethyl-1,2,4-oxadiazole;3,4-dimethyl-1,2,4-oxadiazole-5-thione;3,5-dimethyl-1,3,4-oxadiazole-2-thione;3,4-dimethyl-1,2,4-oxadiazol-5-one;3,5-dimethyl-1,3,4-oxadiazol-2-one;2,5-dimethyl-1,3-oxazole;2,5-dimethyl-1,3,4-thiadiazole;3,4-dimethyl-1,2,4-thiadiazol-5-one;3,5-dimethyl-1,3,4-thiadiazol-2-one;2,4,5-trimethyl-1,3-oxazole?

The InChIKey is BDEKCYNUGOQKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO.C5H7NO.2C4H6N2O2.4C4H6N2OS.3C4H6N2O.C4H6N2S/c1-4-5(2)8-6(3)7-4;1-4-3-6-5(2)7-4;1-3-5-6(2)4(7)8-3;1-3-5-8-4(7)6(3)2;1-3-5-6(2)4(7)8-3;1-3-5-6(2)4(8)7-3;1-3-5-8-4(7)6(3)2;1-3-5-7-4(8)6(3)2;2*1-3-5-6-4(2)7-3;1-3-5-4(2)7-6-3;1-3-5-6-4(2)7-3/h1-3H3;3H,1-2H3;6*1-2H3;4*1-2H3.

What are the key properties of Bis(2,5-dimethyl-1,3,4-oxadiazole);3,5-dimethyl-1,2,4-oxadiazole;3,4-dimethyl-1,2,4-oxadiazole-5-thione;3,5-dimethyl-1,3,4-oxadiazole-2-thione;3,4-dimethyl-1,2,4-oxadiazol-5-one;3,5-dimethyl-1,3,4-oxadiazol-2-one;2,5-dimethyl-1,3-oxazole;2,5-dimethyl-1,3,4-thiadiazole;3,4-dimethyl-1,2,4-thiadiazol-5-one;3,5-dimethyl-1,3,4-thiadiazol-2-one;2,4,5-trimethyl-1,3-oxazole?

Bis(2,5-dimethyl-1,3,4-oxadiazole);3,5-dimethyl-1,2,4-oxadiazole;3,4-dimethyl-1,2,4-oxadiazole-5-thione;3,5-dimethyl-1,3,4-oxadiazole-2-thione;3,4-dimethyl-1,2,4-oxadiazol-5-one;3,5-dimethyl-1,3,4-oxadiazol-2-one;2,5-dimethyl-1,3-oxazole;2,5-dimethyl-1,3,4-thiadiazole;3,4-dimethyl-1,2,4-thiadiazol-5-one;3,5-dimethyl-1,3,4-thiadiazol-2-one;2,4,5-trimethyl-1,3-oxazole has a molecular weight of 1365.64 g/mol, XLogP of 7.87, 0 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for Bis(2,5-dimethyl-1,3,4-oxadiazole);3,5-dimethyl-1,2,4-oxadiazole;3,4-dimethyl-1,2,4-oxadiazole-5-thione;3,5-dimethyl-1,3,4-oxadiazole-2-thione;3,4-dimethyl-1,2,4-oxadiazol-5-one;3,5-dimethyl-1,3,4-oxadiazol-2-one;2,5-dimethyl-1,3-oxazole;2,5-dimethyl-1,3,4-thiadiazole;3,4-dimethyl-1,2,4-thiadiazol-5-one;3,5-dimethyl-1,3,4-thiadiazol-2-one;2,4,5-trimethyl-1,3-oxazole is sourced from PubChem (CID 157312321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 157312321 — identifiers, structure, computed properties (public domain)

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