3,5-dimethyl-1,2,4-oxadiazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;methane;2,4,5-trimethyl-1,3-oxazole;bis(3,4,5-trimethyl-1,2-oxazole);tris(2,4,5-trimethyl-1,3-thiazole);2,4,5-trimethyltriazole

C77H159N17O4S4 — CID 158454592

About 3,5-dimethyl-1,2,4-oxadiazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;methane;2,4,5-trimethyl-1,3-oxazole;bis(3,4,5-trimethyl-1,2-oxazole);tris(2,4,5-trimethyl-1,3-thiazole);2,4,5-trimethyltriazole

3,5-dimethyl-1,2,4-oxadiazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;methane;2,4,5-trimethyl-1,3-oxazole;bis(3,4,5-trimethyl-1,2-oxazole);tris(2,4,5-trimethyl-1,3-thiazole);2,4,5-trimethyltriazole (PubChem CID 158454592) has the molecular formula C77H159N17O4S4 and a molecular weight of 1515.50 g/mol. Its IUPAC name is 3,5-dimethyl-1,2,4-oxadiazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;methane;2,4,5-trimethyl-1,3-oxazole;bis(3,4,5-trimethyl-1,2-oxazole);tris(2,4,5-trimethyl-1,3-thiazole);2,4,5-trimethyltriazole.

Molecular Properties

• Compound Name: 3,5-dimethyl-1,2,4-oxadiazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;methane;2,4,5-trimethyl-1,3-oxazole;bis(3,4,5-trimethyl-1,2-oxazole);tris(2,4,5-trimethyl-1,3-thiazole);2,4,5-trimethyltriazole
• PubChem CID: 158454592
• Molecular Formula: C77H159N17O4S4
• Molecular Weight: 1515.50 g/mol
• Exact Mass: 1514.16
• IUPAC Name: 3,5-dimethyl-1,2,4-oxadiazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;methane;2,4,5-trimethyl-1,3-oxazole;bis(3,4,5-trimethyl-1,2-oxazole);tris(2,4,5-trimethyl-1,3-thiazole);2,4,5-trimethyltriazole
• SMILES: C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC.CC.Cc1ccn(C)n1.Cc1cnn(C)c1.Cc1nc(C)c(C)o1.Cc1nc(C)c(C)s1.Cc1nc(C)c(C)s1.Cc1nc(C)c(C)s1.Cc1nn(C)nc1C.Cc1noc(C)c1C.Cc1noc(C)c1C.Cc1noc(C)n1.Cc1nsc(C)n1
• InChI: InChI=1S/3C6H9NO.3C6H9NS.C5H9N3.2C5H8N2.C4H6N2O.C4H6N2S.2C2H6.14CH4/c1-4-5(2)8-6(3)7-4;2*1-4-5(2)7-8-6(4)3;3*1-4-5(2)8-6(3)7-4;1-4-5(2)7-8(3)6-4;1-5-3-6-7(2)4-5;1-5-3-4-7(2)6-5;2*1-3-5-4(2)7-6-3;2*1-2;;;;;;;;;;;;;;/h7*1-3H3;2*3-4H,1-2H3;2*1-2H3;2*1-2H3;14*1H4
• InChIKey: HEKKCCLEFYFLJP-UHFFFAOYSA-N
• XLogP: 25.69
• TPSA: 247.81 Ų
• H-Bond Acceptors: 25
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1515.50
LogP ≤ 5	25.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

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

The IUPAC name of 3,5-dimethyl-1,2,4-oxadiazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;methane;2,4,5-trimethyl-1,3-oxazole;bis(3,4,5-trimethyl-1,2-oxazole);tris(2,4,5-trimethyl-1,3-thiazole);2,4,5-trimethyltriazole (CID 158454592) is 3,5-dimethyl-1,2,4-oxadiazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;methane;2,4,5-trimethyl-1,3-oxazole;bis(3,4,5-trimethyl-1,2-oxazole);tris(2,4,5-trimethyl-1,3-thiazole);2,4,5-trimethyltriazole.

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

The canonical SMILES for 3,5-dimethyl-1,2,4-oxadiazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;methane;2,4,5-trimethyl-1,3-oxazole;bis(3,4,5-trimethyl-1,2-oxazole);tris(2,4,5-trimethyl-1,3-thiazole);2,4,5-trimethyltriazole is C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC.CC.Cc1ccn(C)n1.Cc1cnn(C)c1.Cc1nc(C)c(C)o1.Cc1nc(C)c(C)s1.Cc1nc(C)c(C)s1.Cc1nc(C)c(C)s1.Cc1nn(C)nc1C.Cc1noc(C)c1C.Cc1noc(C)c1C.Cc1noc(C)n1.Cc1nsc(C)n1.

What is the InChIKey of 3,5-dimethyl-1,2,4-oxadiazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;methane;2,4,5-trimethyl-1,3-oxazole;bis(3,4,5-trimethyl-1,2-oxazole);tris(2,4,5-trimethyl-1,3-thiazole);2,4,5-trimethyltriazole?

The InChIKey is HEKKCCLEFYFLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H9NO.3C6H9NS.C5H9N3.2C5H8N2.C4H6N2O.C4H6N2S.2C2H6.14CH4/c1-4-5(2)8-6(3)7-4;2*1-4-5(2)7-8-6(4)3;3*1-4-5(2)8-6(3)7-4;1-4-5(2)7-8(3)6-4;1-5-3-6-7(2)4-5;1-5-3-4-7(2)6-5;2*1-3-5-4(2)7-6-3;2*1-2;;;;;;;;;;;;;;/h7*1-3H3;2*3-4H,1-2H3;2*1-2H3;2*1-2H3;14*1H4.

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

3,5-dimethyl-1,2,4-oxadiazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;methane;2,4,5-trimethyl-1,3-oxazole;bis(3,4,5-trimethyl-1,2-oxazole);tris(2,4,5-trimethyl-1,3-thiazole);2,4,5-trimethyltriazole has a molecular weight of 1515.50 g/mol, XLogP of 25.69, 0 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dimethyl-1,2,4-oxadiazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;methane;2,4,5-trimethyl-1,3-oxazole;bis(3,4,5-trimethyl-1,2-oxazole);tris(2,4,5-trimethyl-1,3-thiazole);2,4,5-trimethyltriazole is sourced from PubChem (CID 158454592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).