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

C56H77N13O3S8 — CID 159104812

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

2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;bis(2,4-dimethyl-1,3-thiazole);bis(2,5-dimethyl-1,3-thiazole);1-methylimidazole;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2,4,5-trimethyl-1,3-thiazole (PubChem CID 159104812) has the molecular formula C56H77N13O3S8 and a molecular weight of 1236.86 g/mol. Its IUPAC name is 2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;bis(2,4-dimethyl-1,3-thiazole);bis(2,5-dimethyl-1,3-thiazole);1-methylimidazole;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2,4,5-trimethyl-1,3-thiazole.

Molecular Properties

• Compound Name: 2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;bis(2,4-dimethyl-1,3-thiazole);bis(2,5-dimethyl-1,3-thiazole);1-methylimidazole;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2,4,5-trimethyl-1,3-thiazole
• PubChem CID: 159104812
• Molecular Formula: C56H77N13O3S8
• Molecular Weight: 1236.86 g/mol
• Exact Mass: 1235.40
• IUPAC Name: 2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;bis(2,4-dimethyl-1,3-thiazole);bis(2,5-dimethyl-1,3-thiazole);1-methylimidazole;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2,4,5-trimethyl-1,3-thiazole
• SMILES: Cc1cnc(C)o1.Cc1cnc(C)s1.Cc1cnc(C)s1.Cc1cnco1.Cc1cncs1.Cc1coc(C)n1.Cc1csc(C)n1.Cc1csc(C)n1.Cc1cscn1.Cc1nc(C)c(C)s1.Cc1nccs1.Cn1ccnc1
• InChI: InChI=1S/C6H9NS.2C5H7NO.4C5H7NS.C4H6N2.C4H5NO.3C4H5NS/c1-4-5(2)8-6(3)7-4;1-4-3-7-5(2)6-4;1-4-3-6-5(2)7-4;2*1-4-3-7-5(2)6-4;2*1-4-3-6-5(2)7-4;1-6-3-2-5-4-6;1-4-2-5-3-6-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4/h1-3H3;6*3H,1-2H3;2-4H,1H3;4*2-3H,1H3
• InChIKey: KDSYVUMWMCNCGS-UHFFFAOYSA-N
• XLogP: 17.45
• TPSA: 199.03 Ų
• H-Bond Acceptors: 24
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1236.86
LogP ≤ 5	17.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

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

The IUPAC name of 2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;bis(2,4-dimethyl-1,3-thiazole);bis(2,5-dimethyl-1,3-thiazole);1-methylimidazole;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2,4,5-trimethyl-1,3-thiazole (CID 159104812) is 2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;bis(2,4-dimethyl-1,3-thiazole);bis(2,5-dimethyl-1,3-thiazole);1-methylimidazole;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2,4,5-trimethyl-1,3-thiazole.

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

The canonical SMILES for 2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;bis(2,4-dimethyl-1,3-thiazole);bis(2,5-dimethyl-1,3-thiazole);1-methylimidazole;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2,4,5-trimethyl-1,3-thiazole is Cc1cnc(C)o1.Cc1cnc(C)s1.Cc1cnc(C)s1.Cc1cnco1.Cc1cncs1.Cc1coc(C)n1.Cc1csc(C)n1.Cc1csc(C)n1.Cc1cscn1.Cc1nc(C)c(C)s1.Cc1nccs1.Cn1ccnc1.

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

The InChIKey is KDSYVUMWMCNCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NS.2C5H7NO.4C5H7NS.C4H6N2.C4H5NO.3C4H5NS/c1-4-5(2)8-6(3)7-4;1-4-3-7-5(2)6-4;1-4-3-6-5(2)7-4;2*1-4-3-7-5(2)6-4;2*1-4-3-6-5(2)7-4;1-6-3-2-5-4-6;1-4-2-5-3-6-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4/h1-3H3;6*3H,1-2H3;2-4H,1H3;4*2-3H,1H3.

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

2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;bis(2,4-dimethyl-1,3-thiazole);bis(2,5-dimethyl-1,3-thiazole);1-methylimidazole;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2,4,5-trimethyl-1,3-thiazole has a molecular weight of 1236.86 g/mol, XLogP of 17.45, 0 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;bis(2,4-dimethyl-1,3-thiazole);bis(2,5-dimethyl-1,3-thiazole);1-methylimidazole;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2,4,5-trimethyl-1,3-thiazole is sourced from PubChem (CID 159104812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).