bis(2,4-dimethyl-1,3-oxazole);bis(2,5-dimethyl-1,3-oxazole);2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;1,3,5-trimethylpyrazole

C52H72N12O7S3 — CID 158978232

About bis(2,4-dimethyl-1,3-oxazole);bis(2,5-dimethyl-1,3-oxazole);2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;1,3,5-trimethylpyrazole

bis(2,4-dimethyl-1,3-oxazole);bis(2,5-dimethyl-1,3-oxazole);2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;1,3,5-trimethylpyrazole (PubChem CID 158978232) has the molecular formula C52H72N12O7S3 and a molecular weight of 1073.43 g/mol. Its IUPAC name is bis(2,4-dimethyl-1,3-oxazole);bis(2,5-dimethyl-1,3-oxazole);2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;1,3,5-trimethylpyrazole.

Molecular Properties

• Compound Name: bis(2,4-dimethyl-1,3-oxazole);bis(2,5-dimethyl-1,3-oxazole);2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;1,3,5-trimethylpyrazole
• PubChem CID: 158978232
• Molecular Formula: C52H72N12O7S3
• Molecular Weight: 1073.43 g/mol
• Exact Mass: 1072.48
• IUPAC Name: bis(2,4-dimethyl-1,3-oxazole);bis(2,5-dimethyl-1,3-oxazole);2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;1,3,5-trimethylpyrazole
• SMILES: Cc1cc(C)n(C)n1.Cc1cnc(C)o1.Cc1cnc(C)o1.Cc1cnc(C)s1.Cc1cnco1.Cc1coc(C)n1.Cc1coc(C)n1.Cc1cocn1.Cc1csc(C)n1.Cc1ncco1.Cc1nccs1
• InChI: InChI=1S/C6H10N2.4C5H7NO.2C5H7NS.3C4H5NO.C4H5NS/c1-5-4-6(2)8(3)7-5;2*1-4-3-7-5(2)6-4;2*1-4-3-6-5(2)7-4;1-4-3-7-5(2)6-4;1-4-3-6-5(2)7-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;2*1-4-5-2-3-6-4/h4H,1-3H3;6*3H,1-2H3;4*2-3H,1H3
• InChIKey: JOQUVXCWNLNYFY-UHFFFAOYSA-N
• XLogP: 14.12
• TPSA: 238.70 Ų
• H-Bond Acceptors: 22
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1073.43
LogP ≤ 5	14.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of bis(2,4-dimethyl-1,3-oxazole);bis(2,5-dimethyl-1,3-oxazole);2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;1,3,5-trimethylpyrazole?

The IUPAC name of bis(2,4-dimethyl-1,3-oxazole);bis(2,5-dimethyl-1,3-oxazole);2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;1,3,5-trimethylpyrazole (CID 158978232) is bis(2,4-dimethyl-1,3-oxazole);bis(2,5-dimethyl-1,3-oxazole);2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;1,3,5-trimethylpyrazole.

What is the SMILES notation for bis(2,4-dimethyl-1,3-oxazole);bis(2,5-dimethyl-1,3-oxazole);2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;1,3,5-trimethylpyrazole?

The canonical SMILES for bis(2,4-dimethyl-1,3-oxazole);bis(2,5-dimethyl-1,3-oxazole);2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;1,3,5-trimethylpyrazole is Cc1cc(C)n(C)n1.Cc1cnc(C)o1.Cc1cnc(C)o1.Cc1cnc(C)s1.Cc1cnco1.Cc1coc(C)n1.Cc1coc(C)n1.Cc1cocn1.Cc1csc(C)n1.Cc1ncco1.Cc1nccs1.

What is the InChIKey of bis(2,4-dimethyl-1,3-oxazole);bis(2,5-dimethyl-1,3-oxazole);2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;1,3,5-trimethylpyrazole?

The InChIKey is JOQUVXCWNLNYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2.4C5H7NO.2C5H7NS.3C4H5NO.C4H5NS/c1-5-4-6(2)8(3)7-5;2*1-4-3-7-5(2)6-4;2*1-4-3-6-5(2)7-4;1-4-3-7-5(2)6-4;1-4-3-6-5(2)7-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;2*1-4-5-2-3-6-4/h4H,1-3H3;6*3H,1-2H3;4*2-3H,1H3.

What are the key properties of bis(2,4-dimethyl-1,3-oxazole);bis(2,5-dimethyl-1,3-oxazole);2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;1,3,5-trimethylpyrazole?

bis(2,4-dimethyl-1,3-oxazole);bis(2,5-dimethyl-1,3-oxazole);2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;1,3,5-trimethylpyrazole has a molecular weight of 1073.43 g/mol, XLogP of 14.12, 0 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2,4-dimethyl-1,3-oxazole);bis(2,5-dimethyl-1,3-oxazole);2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;1,3,5-trimethylpyrazole is sourced from PubChem (CID 158978232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).