3,5-dimethyl-1,2,4-oxadiazole;bis(3,5-dimethyl-1,2-oxazole);1,3-dimethylpyrazole;1,5-dimethylpyrazole;2,4-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole;1,4-dimethyltriazole;1,5-dimethyltriazole;1-methylcyclopenta-1,3-diene;2-methylfuran;2-methylpyrazine;4-methyl-3H-pyrazole;2-methylpyridine;4-methyl-2H-pyrrole;bis(5-methyl-3H-pyrrole);5-methyl-4H-triazole

C85H123N29O4S — CID 157492043

About 3,5-dimethyl-1,2,4-oxadiazole;bis(3,5-dimethyl-1,2-oxazole);1,3-dimethylpyrazole;1,5-dimethylpyrazole;2,4-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole;1,4-dimethyltriazole;1,5-dimethyltriazole;1-methylcyclopenta-1,3-diene;2-methylfuran;2-methylpyrazine;4-methyl-3H-pyrazole;2-methylpyridine;4-methyl-2H-pyrrole;bis(5-methyl-3H-pyrrole);5-methyl-4H-triazole

3,5-dimethyl-1,2,4-oxadiazole;bis(3,5-dimethyl-1,2-oxazole);1,3-dimethylpyrazole;1,5-dimethylpyrazole;2,4-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole;1,4-dimethyltriazole;1,5-dimethyltriazole;1-methylcyclopenta-1,3-diene;2-methylfuran;2-methylpyrazine;4-methyl-3H-pyrazole;2-methylpyridine;4-methyl-2H-pyrrole;bis(5-methyl-3H-pyrrole);5-methyl-4H-triazole (PubChem CID 157492043) has the molecular formula C85H123N29O4S and a molecular weight of 1647.18 g/mol. Its IUPAC name is 3,5-dimethyl-1,2,4-oxadiazole;bis(3,5-dimethyl-1,2-oxazole);1,3-dimethylpyrazole;1,5-dimethylpyrazole;2,4-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole;1,4-dimethyltriazole;1,5-dimethyltriazole;1-methylcyclopenta-1,3-diene;2-methylfuran;2-methylpyrazine;4-methyl-3H-pyrazole;2-methylpyridine;4-methyl-2H-pyrrole;bis(5-methyl-3H-pyrrole);5-methyl-4H-triazole.

Molecular Properties

• Compound Name: 3,5-dimethyl-1,2,4-oxadiazole;bis(3,5-dimethyl-1,2-oxazole);1,3-dimethylpyrazole;1,5-dimethylpyrazole;2,4-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole;1,4-dimethyltriazole;1,5-dimethyltriazole;1-methylcyclopenta-1,3-diene;2-methylfuran;2-methylpyrazine;4-methyl-3H-pyrazole;2-methylpyridine;4-methyl-2H-pyrrole;bis(5-methyl-3H-pyrrole);5-methyl-4H-triazole
• PubChem CID: 157492043
• Molecular Formula: C85H123N29O4S
• Molecular Weight: 1647.18 g/mol
• Exact Mass: 1646.00
• IUPAC Name: 3,5-dimethyl-1,2,4-oxadiazole;bis(3,5-dimethyl-1,2-oxazole);1,3-dimethylpyrazole;1,5-dimethylpyrazole;2,4-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole;1,4-dimethyltriazole;1,5-dimethyltriazole;1-methylcyclopenta-1,3-diene;2-methylfuran;2-methylpyrazine;4-methyl-3H-pyrazole;2-methylpyridine;4-methyl-2H-pyrrole;bis(5-methyl-3H-pyrrole);5-methyl-4H-triazole
• SMILES: CC1=CC=CC1.CC1=CCC=N1.CC1=CCC=N1.CC1=CCN=C1.CC1=CN=NC1.CC1=NN=NC1.Cc1cc(C)on1.Cc1cc(C)on1.Cc1ccccn1.Cc1ccco1.Cc1ccn(C)n1.Cc1ccnn1C.Cc1cn(C)nn1.Cc1cnccn1.Cc1cnnn1C.Cc1csc(C)n1.Cc1ncn(C)n1.Cc1noc(C)n1
• InChI: InChI=1S/C6H7N.C6H8.2C5H8N2.C5H6N2.2C5H7NO.C5H7NS.3C5H7N.C5H6O.3C4H7N3.C4H6N2O.C4H6N2.C3H5N3/c1-6-4-2-3-5-7-6;1-6-4-2-3-5-6;1-5-3-4-7(2)6-5;1-5-3-4-6-7(5)2;1-5-4-6-2-3-7-5;2*1-4-3-5(2)7-6-4;1-4-3-7-5(2)6-4;1-5-2-3-6-4-5;3*1-5-3-2-4-6-5;1-4-5-3-7(2)6-4;1-4-3-7(2)6-5-4;1-4-3-5-6-7(4)2;1-3-5-4(2)7-6-3;1-4-2-5-6-3-4;1-3-2-4-6-5-3/h2-5H,1H3;2-4H,5H2,1H3;2*3-4H,1-2H3;2-4H,1H3;3*3H,1-2H3;2,4H,3H2,1H3;2*3-4H,2H2,1H3;2-4H,1H3;3*3H,1-2H3;1-2H3;2H,3H2,1H3;2H2,1H3
• InChIKey: BXJVEPJOMDNVEN-UHFFFAOYSA-N
• XLogP: 18.44
• TPSA: 382.33 Ų
• H-Bond Acceptors: 34
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1647.18
LogP ≤ 5	18.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1,2,4-oxadiazole;bis(3,5-dimethyl-1,2-oxazole);1,3-dimethylpyrazole;1,5-dimethylpyrazole;2,4-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole;1,4-dimethyltriazole;1,5-dimethyltriazole;1-methylcyclopenta-1,3-diene;2-methylfuran;2-methylpyrazine;4-methyl-3H-pyrazole;2-methylpyridine;4-methyl-2H-pyrrole;bis(5-methyl-3H-pyrrole);5-methyl-4H-triazole?

The IUPAC name of 3,5-dimethyl-1,2,4-oxadiazole;bis(3,5-dimethyl-1,2-oxazole);1,3-dimethylpyrazole;1,5-dimethylpyrazole;2,4-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole;1,4-dimethyltriazole;1,5-dimethyltriazole;1-methylcyclopenta-1,3-diene;2-methylfuran;2-methylpyrazine;4-methyl-3H-pyrazole;2-methylpyridine;4-methyl-2H-pyrrole;bis(5-methyl-3H-pyrrole);5-methyl-4H-triazole (CID 157492043) is 3,5-dimethyl-1,2,4-oxadiazole;bis(3,5-dimethyl-1,2-oxazole);1,3-dimethylpyrazole;1,5-dimethylpyrazole;2,4-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole;1,4-dimethyltriazole;1,5-dimethyltriazole;1-methylcyclopenta-1,3-diene;2-methylfuran;2-methylpyrazine;4-methyl-3H-pyrazole;2-methylpyridine;4-methyl-2H-pyrrole;bis(5-methyl-3H-pyrrole);5-methyl-4H-triazole.

What is the SMILES notation for 3,5-dimethyl-1,2,4-oxadiazole;bis(3,5-dimethyl-1,2-oxazole);1,3-dimethylpyrazole;1,5-dimethylpyrazole;2,4-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole;1,4-dimethyltriazole;1,5-dimethyltriazole;1-methylcyclopenta-1,3-diene;2-methylfuran;2-methylpyrazine;4-methyl-3H-pyrazole;2-methylpyridine;4-methyl-2H-pyrrole;bis(5-methyl-3H-pyrrole);5-methyl-4H-triazole?

The canonical SMILES for 3,5-dimethyl-1,2,4-oxadiazole;bis(3,5-dimethyl-1,2-oxazole);1,3-dimethylpyrazole;1,5-dimethylpyrazole;2,4-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole;1,4-dimethyltriazole;1,5-dimethyltriazole;1-methylcyclopenta-1,3-diene;2-methylfuran;2-methylpyrazine;4-methyl-3H-pyrazole;2-methylpyridine;4-methyl-2H-pyrrole;bis(5-methyl-3H-pyrrole);5-methyl-4H-triazole is CC1=CC=CC1.CC1=CCC=N1.CC1=CCC=N1.CC1=CCN=C1.CC1=CN=NC1.CC1=NN=NC1.Cc1cc(C)on1.Cc1cc(C)on1.Cc1ccccn1.Cc1ccco1.Cc1ccn(C)n1.Cc1ccnn1C.Cc1cn(C)nn1.Cc1cnccn1.Cc1cnnn1C.Cc1csc(C)n1.Cc1ncn(C)n1.Cc1noc(C)n1.

What is the InChIKey of 3,5-dimethyl-1,2,4-oxadiazole;bis(3,5-dimethyl-1,2-oxazole);1,3-dimethylpyrazole;1,5-dimethylpyrazole;2,4-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole;1,4-dimethyltriazole;1,5-dimethyltriazole;1-methylcyclopenta-1,3-diene;2-methylfuran;2-methylpyrazine;4-methyl-3H-pyrazole;2-methylpyridine;4-methyl-2H-pyrrole;bis(5-methyl-3H-pyrrole);5-methyl-4H-triazole?

The InChIKey is BXJVEPJOMDNVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N.C6H8.2C5H8N2.C5H6N2.2C5H7NO.C5H7NS.3C5H7N.C5H6O.3C4H7N3.C4H6N2O.C4H6N2.C3H5N3/c1-6-4-2-3-5-7-6;1-6-4-2-3-5-6;1-5-3-4-7(2)6-5;1-5-3-4-6-7(5)2;1-5-4-6-2-3-7-5;2*1-4-3-5(2)7-6-4;1-4-3-7-5(2)6-4;1-5-2-3-6-4-5;3*1-5-3-2-4-6-5;1-4-5-3-7(2)6-4;1-4-3-7(2)6-5-4;1-4-3-5-6-7(4)2;1-3-5-4(2)7-6-3;1-4-2-5-6-3-4;1-3-2-4-6-5-3/h2-5H,1H3;2-4H,5H2,1H3;2*3-4H,1-2H3;2-4H,1H3;3*3H,1-2H3;2,4H,3H2,1H3;2*3-4H,2H2,1H3;2-4H,1H3;3*3H,1-2H3;1-2H3;2H,3H2,1H3;2H2,1H3.

What are the key properties of 3,5-dimethyl-1,2,4-oxadiazole;bis(3,5-dimethyl-1,2-oxazole);1,3-dimethylpyrazole;1,5-dimethylpyrazole;2,4-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole;1,4-dimethyltriazole;1,5-dimethyltriazole;1-methylcyclopenta-1,3-diene;2-methylfuran;2-methylpyrazine;4-methyl-3H-pyrazole;2-methylpyridine;4-methyl-2H-pyrrole;bis(5-methyl-3H-pyrrole);5-methyl-4H-triazole?

3,5-dimethyl-1,2,4-oxadiazole;bis(3,5-dimethyl-1,2-oxazole);1,3-dimethylpyrazole;1,5-dimethylpyrazole;2,4-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole;1,4-dimethyltriazole;1,5-dimethyltriazole;1-methylcyclopenta-1,3-diene;2-methylfuran;2-methylpyrazine;4-methyl-3H-pyrazole;2-methylpyridine;4-methyl-2H-pyrrole;bis(5-methyl-3H-pyrrole);5-methyl-4H-triazole has a molecular weight of 1647.18 g/mol, XLogP of 18.44, 0 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dimethyl-1,2,4-oxadiazole;bis(3,5-dimethyl-1,2-oxazole);1,3-dimethylpyrazole;1,5-dimethylpyrazole;2,4-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole;1,4-dimethyltriazole;1,5-dimethyltriazole;1-methylcyclopenta-1,3-diene;2-methylfuran;2-methylpyrazine;4-methyl-3H-pyrazole;2-methylpyridine;4-methyl-2H-pyrrole;bis(5-methyl-3H-pyrrole);5-methyl-4H-triazole is sourced from PubChem (CID 157492043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).