3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2,4-thiadiazole;3,5-dimethyl-1H-1,2,4-triazole;ethane;1-methylimidazole;5-methyl-1H-imidazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;2-methylpyridine;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;4-methyl-1,2,4-triazole

C61H111N19O3S3 — CID 157415707

About 3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2,4-thiadiazole;3,5-dimethyl-1H-1,2,4-triazole;ethane;1-methylimidazole;5-methyl-1H-imidazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;2-methylpyridine;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;4-methyl-1,2,4-triazole

3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2,4-thiadiazole;3,5-dimethyl-1H-1,2,4-triazole;ethane;1-methylimidazole;5-methyl-1H-imidazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;2-methylpyridine;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;4-methyl-1,2,4-triazole (PubChem CID 157415707) has the molecular formula C61H111N19O3S3 and a molecular weight of 1254.89 g/mol. Its IUPAC name is 3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2,4-thiadiazole;3,5-dimethyl-1H-1,2,4-triazole;ethane;1-methylimidazole;5-methyl-1H-imidazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;2-methylpyridine;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;4-methyl-1,2,4-triazole.

Molecular Properties

• Compound Name: 3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2,4-thiadiazole;3,5-dimethyl-1H-1,2,4-triazole;ethane;1-methylimidazole;5-methyl-1H-imidazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;2-methylpyridine;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;4-methyl-1,2,4-triazole
• PubChem CID: 157415707
• Molecular Formula: C61H111N19O3S3
• Molecular Weight: 1254.89 g/mol
• Exact Mass: 1253.83
• IUPAC Name: 3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2,4-thiadiazole;3,5-dimethyl-1H-1,2,4-triazole;ethane;1-methylimidazole;5-methyl-1H-imidazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;2-methylpyridine;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;4-methyl-1,2,4-triazole
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccccn1.Cc1cnc[nH]1.Cc1cnoc1.Cc1cnsc1.Cc1cocn1.Cc1cscn1.Cc1n[nH]c(C)n1.Cc1noc(C)n1.Cc1nsc(C)n1.Cn1ccnc1.Cn1cnnc1
• InChI: InChI=1S/C6H7N.C4H7N3.C4H6N2O.C4H6N2S.2C4H6N2.2C4H5NO.2C4H5NS.C3H5N3.8C2H6/c1-6-4-2-3-5-7-6;3*1-3-5-4(2)7-6-3;1-4-2-5-3-6-4;1-6-3-2-5-4-6;1-4-2-6-3-5-4;1-4-2-5-6-3-4;1-4-2-6-3-5-4;1-4-2-5-6-3-4;1-6-2-4-5-3-6;8*1-2/h2-5H,1H3;1-2H3,(H,5,6,7);2*1-2H3;2-3H,1H3,(H,5,6);2-4H,1H3;5*2-3H,1H3;8*1-2H3
• InChIKey: BOUYSDKAERGHCG-UHFFFAOYSA-N
• XLogP: 17.68
• TPSA: 274.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 23
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1254.89
LogP ≤ 5	17.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2,4-thiadiazole;3,5-dimethyl-1H-1,2,4-triazole;ethane;1-methylimidazole;5-methyl-1H-imidazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;2-methylpyridine;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;4-methyl-1,2,4-triazole?

The IUPAC name of 3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2,4-thiadiazole;3,5-dimethyl-1H-1,2,4-triazole;ethane;1-methylimidazole;5-methyl-1H-imidazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;2-methylpyridine;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;4-methyl-1,2,4-triazole (CID 157415707) is 3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2,4-thiadiazole;3,5-dimethyl-1H-1,2,4-triazole;ethane;1-methylimidazole;5-methyl-1H-imidazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;2-methylpyridine;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;4-methyl-1,2,4-triazole.

What is the SMILES notation for 3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2,4-thiadiazole;3,5-dimethyl-1H-1,2,4-triazole;ethane;1-methylimidazole;5-methyl-1H-imidazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;2-methylpyridine;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;4-methyl-1,2,4-triazole?

The canonical SMILES for 3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2,4-thiadiazole;3,5-dimethyl-1H-1,2,4-triazole;ethane;1-methylimidazole;5-methyl-1H-imidazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;2-methylpyridine;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;4-methyl-1,2,4-triazole is CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccccn1.Cc1cnc[nH]1.Cc1cnoc1.Cc1cnsc1.Cc1cocn1.Cc1cscn1.Cc1n[nH]c(C)n1.Cc1noc(C)n1.Cc1nsc(C)n1.Cn1ccnc1.Cn1cnnc1.

What is the InChIKey of 3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2,4-thiadiazole;3,5-dimethyl-1H-1,2,4-triazole;ethane;1-methylimidazole;5-methyl-1H-imidazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;2-methylpyridine;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;4-methyl-1,2,4-triazole?

The InChIKey is BOUYSDKAERGHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N.C4H7N3.C4H6N2O.C4H6N2S.2C4H6N2.2C4H5NO.2C4H5NS.C3H5N3.8C2H6/c1-6-4-2-3-5-7-6;3*1-3-5-4(2)7-6-3;1-4-2-5-3-6-4;1-6-3-2-5-4-6;1-4-2-6-3-5-4;1-4-2-5-6-3-4;1-4-2-6-3-5-4;1-4-2-5-6-3-4;1-6-2-4-5-3-6;8*1-2/h2-5H,1H3;1-2H3,(H,5,6,7);2*1-2H3;2-3H,1H3,(H,5,6);2-4H,1H3;5*2-3H,1H3;8*1-2H3.

What are the key properties of 3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2,4-thiadiazole;3,5-dimethyl-1H-1,2,4-triazole;ethane;1-methylimidazole;5-methyl-1H-imidazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;2-methylpyridine;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;4-methyl-1,2,4-triazole?

3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2,4-thiadiazole;3,5-dimethyl-1H-1,2,4-triazole;ethane;1-methylimidazole;5-methyl-1H-imidazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;2-methylpyridine;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;4-methyl-1,2,4-triazole has a molecular weight of 1254.89 g/mol, XLogP of 17.68, 0 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2,4-thiadiazole;3,5-dimethyl-1H-1,2,4-triazole;ethane;1-methylimidazole;5-methyl-1H-imidazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;2-methylpyridine;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;4-methyl-1,2,4-triazole is sourced from PubChem (CID 157415707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).