3,5-dimethyl-1,2,4-oxadiazole;1,4-dimethylpyrazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;5-methyl-1H-imidazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1H-pyrazole;3-methyl-1H-pyrrole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole

C58H107N15O3S3 — CID 157083907

About 3,5-dimethyl-1,2,4-oxadiazole;1,4-dimethylpyrazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;5-methyl-1H-imidazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1H-pyrazole;3-methyl-1H-pyrrole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole

3,5-dimethyl-1,2,4-oxadiazole;1,4-dimethylpyrazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;5-methyl-1H-imidazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1H-pyrazole;3-methyl-1H-pyrrole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole (PubChem CID 157083907) has the molecular formula C58H107N15O3S3 and a molecular weight of 1158.80 g/mol. Its IUPAC name is 3,5-dimethyl-1,2,4-oxadiazole;1,4-dimethylpyrazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;5-methyl-1H-imidazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1H-pyrazole;3-methyl-1H-pyrrole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole.

Molecular Properties

• Compound Name: 3,5-dimethyl-1,2,4-oxadiazole;1,4-dimethylpyrazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;5-methyl-1H-imidazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1H-pyrazole;3-methyl-1H-pyrrole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole
• PubChem CID: 157083907
• Molecular Formula: C58H107N15O3S3
• Molecular Weight: 1158.80 g/mol
• Exact Mass: 1157.78
• IUPAC Name: 3,5-dimethyl-1,2,4-oxadiazole;1,4-dimethylpyrazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;5-methyl-1H-imidazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1H-pyrazole;3-methyl-1H-pyrrole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.Cc1cc[nH]c1.Cc1ccn[nH]1.Cc1cnc[nH]1.Cc1cnn(C)c1.Cc1cnoc1.Cc1cnsc1.Cc1cocn1.Cc1cscn1.Cc1noc(C)n1.Cc1nsc(C)n1
• InChI: InChI=1S/C5H8N2.C5H7N.C4H6N2O.C4H6N2S.2C4H6N2.2C4H5NO.2C4H5NS.8C2H6/c1-5-3-6-7(2)4-5;1-5-2-3-6-4-5;2*1-3-5-4(2)7-6-3;1-4-2-5-3-6-4;1-4-2-3-5-6-4;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;8*1-2/h3-4H,1-2H3;2-4,6H,1H3;2*1-2H3;2*2-3H,1H3,(H,5,6);4*2-3H,1H3;8*1-2H3
• InChIKey: ADWFQKVKKZPHNR-UHFFFAOYSA-N
• XLogP: 18.41
• TPSA: 233.51 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1158.80
LogP ≤ 5	18.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

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

The IUPAC name of 3,5-dimethyl-1,2,4-oxadiazole;1,4-dimethylpyrazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;5-methyl-1H-imidazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1H-pyrazole;3-methyl-1H-pyrrole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole (CID 157083907) is 3,5-dimethyl-1,2,4-oxadiazole;1,4-dimethylpyrazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;5-methyl-1H-imidazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1H-pyrazole;3-methyl-1H-pyrrole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole.

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

The canonical SMILES for 3,5-dimethyl-1,2,4-oxadiazole;1,4-dimethylpyrazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;5-methyl-1H-imidazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1H-pyrazole;3-methyl-1H-pyrrole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole is CC.CC.CC.CC.CC.CC.CC.CC.Cc1cc[nH]c1.Cc1ccn[nH]1.Cc1cnc[nH]1.Cc1cnn(C)c1.Cc1cnoc1.Cc1cnsc1.Cc1cocn1.Cc1cscn1.Cc1noc(C)n1.Cc1nsc(C)n1.

What is the InChIKey of 3,5-dimethyl-1,2,4-oxadiazole;1,4-dimethylpyrazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;5-methyl-1H-imidazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1H-pyrazole;3-methyl-1H-pyrrole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole?

The InChIKey is ADWFQKVKKZPHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2.C5H7N.C4H6N2O.C4H6N2S.2C4H6N2.2C4H5NO.2C4H5NS.8C2H6/c1-5-3-6-7(2)4-5;1-5-2-3-6-4-5;2*1-3-5-4(2)7-6-3;1-4-2-5-3-6-4;1-4-2-3-5-6-4;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;8*1-2/h3-4H,1-2H3;2-4,6H,1H3;2*1-2H3;2*2-3H,1H3,(H,5,6);4*2-3H,1H3;8*1-2H3.

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

3,5-dimethyl-1,2,4-oxadiazole;1,4-dimethylpyrazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;5-methyl-1H-imidazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1H-pyrazole;3-methyl-1H-pyrrole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole has a molecular weight of 1158.80 g/mol, XLogP of 18.41, 0 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dimethyl-1,2,4-oxadiazole;1,4-dimethylpyrazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;5-methyl-1H-imidazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1H-pyrazole;3-methyl-1H-pyrrole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole is sourced from PubChem (CID 157083907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).