2,4-dimethyl-1,3-oxazole;tris(2,5-dimethyl-1,3-oxazole);1,3-dimethylpyrazole;2,5-dimethyl-1,3-thiazole;1-methylimidazole;1-methylpyrazole;2-methylpyridine;1-methylpyrrole;2-methyl-3H-pyrrole

C54H76N14O4S — CID 157135326

About 2,4-dimethyl-1,3-oxazole;tris(2,5-dimethyl-1,3-oxazole);1,3-dimethylpyrazole;2,5-dimethyl-1,3-thiazole;1-methylimidazole;1-methylpyrazole;2-methylpyridine;1-methylpyrrole;2-methyl-3H-pyrrole

2,4-dimethyl-1,3-oxazole;tris(2,5-dimethyl-1,3-oxazole);1,3-dimethylpyrazole;2,5-dimethyl-1,3-thiazole;1-methylimidazole;1-methylpyrazole;2-methylpyridine;1-methylpyrrole;2-methyl-3H-pyrrole (PubChem CID 157135326) has the molecular formula C54H76N14O4S and a molecular weight of 1017.36 g/mol. Its IUPAC name is 2,4-dimethyl-1,3-oxazole;tris(2,5-dimethyl-1,3-oxazole);1,3-dimethylpyrazole;2,5-dimethyl-1,3-thiazole;1-methylimidazole;1-methylpyrazole;2-methylpyridine;1-methylpyrrole;2-methyl-3H-pyrrole.

Molecular Properties

• Compound Name: 2,4-dimethyl-1,3-oxazole;tris(2,5-dimethyl-1,3-oxazole);1,3-dimethylpyrazole;2,5-dimethyl-1,3-thiazole;1-methylimidazole;1-methylpyrazole;2-methylpyridine;1-methylpyrrole;2-methyl-3H-pyrrole
• PubChem CID: 157135326
• Molecular Formula: C54H76N14O4S
• Molecular Weight: 1017.36 g/mol
• Exact Mass: 1016.59
• IUPAC Name: 2,4-dimethyl-1,3-oxazole;tris(2,5-dimethyl-1,3-oxazole);1,3-dimethylpyrazole;2,5-dimethyl-1,3-thiazole;1-methylimidazole;1-methylpyrazole;2-methylpyridine;1-methylpyrrole;2-methyl-3H-pyrrole
• SMILES: CC1=NC=CC1.Cc1ccccn1.Cc1ccn(C)n1.Cc1cnc(C)o1.Cc1cnc(C)o1.Cc1cnc(C)o1.Cc1cnc(C)s1.Cc1coc(C)n1.Cn1cccc1.Cn1cccn1.Cn1ccnc1
• InChI: InChI=1S/C6H7N.C5H8N2.4C5H7NO.C5H7NS.2C5H7N.2C4H6N2/c1-6-4-2-3-5-7-6;1-5-3-4-7(2)6-5;1-4-3-7-5(2)6-4;4*1-4-3-6-5(2)7-4;1-6-4-2-3-5-6;1-5-3-2-4-6-5;1-6-3-2-5-4-6;1-6-4-2-3-5-6/h2-5H,1H3;3-4H,1-2H3;5*3H,1-2H3;2-5H,1H3;2,4H,3H2,1H3;2*2-4H,1H3
• InChIKey: AJOBVBPXNUYJBN-UHFFFAOYSA-N
• XLogP: 12.27
• TPSA: 200.65 Ų
• H-Bond Acceptors: 19
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1017.36
LogP ≤ 5	12.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1,3-oxazole;tris(2,5-dimethyl-1,3-oxazole);1,3-dimethylpyrazole;2,5-dimethyl-1,3-thiazole;1-methylimidazole;1-methylpyrazole;2-methylpyridine;1-methylpyrrole;2-methyl-3H-pyrrole?

The IUPAC name of 2,4-dimethyl-1,3-oxazole;tris(2,5-dimethyl-1,3-oxazole);1,3-dimethylpyrazole;2,5-dimethyl-1,3-thiazole;1-methylimidazole;1-methylpyrazole;2-methylpyridine;1-methylpyrrole;2-methyl-3H-pyrrole (CID 157135326) is 2,4-dimethyl-1,3-oxazole;tris(2,5-dimethyl-1,3-oxazole);1,3-dimethylpyrazole;2,5-dimethyl-1,3-thiazole;1-methylimidazole;1-methylpyrazole;2-methylpyridine;1-methylpyrrole;2-methyl-3H-pyrrole.

What is the SMILES notation for 2,4-dimethyl-1,3-oxazole;tris(2,5-dimethyl-1,3-oxazole);1,3-dimethylpyrazole;2,5-dimethyl-1,3-thiazole;1-methylimidazole;1-methylpyrazole;2-methylpyridine;1-methylpyrrole;2-methyl-3H-pyrrole?

The canonical SMILES for 2,4-dimethyl-1,3-oxazole;tris(2,5-dimethyl-1,3-oxazole);1,3-dimethylpyrazole;2,5-dimethyl-1,3-thiazole;1-methylimidazole;1-methylpyrazole;2-methylpyridine;1-methylpyrrole;2-methyl-3H-pyrrole is CC1=NC=CC1.Cc1ccccn1.Cc1ccn(C)n1.Cc1cnc(C)o1.Cc1cnc(C)o1.Cc1cnc(C)o1.Cc1cnc(C)s1.Cc1coc(C)n1.Cn1cccc1.Cn1cccn1.Cn1ccnc1.

What is the InChIKey of 2,4-dimethyl-1,3-oxazole;tris(2,5-dimethyl-1,3-oxazole);1,3-dimethylpyrazole;2,5-dimethyl-1,3-thiazole;1-methylimidazole;1-methylpyrazole;2-methylpyridine;1-methylpyrrole;2-methyl-3H-pyrrole?

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

What are the key properties of 2,4-dimethyl-1,3-oxazole;tris(2,5-dimethyl-1,3-oxazole);1,3-dimethylpyrazole;2,5-dimethyl-1,3-thiazole;1-methylimidazole;1-methylpyrazole;2-methylpyridine;1-methylpyrrole;2-methyl-3H-pyrrole?

2,4-dimethyl-1,3-oxazole;tris(2,5-dimethyl-1,3-oxazole);1,3-dimethylpyrazole;2,5-dimethyl-1,3-thiazole;1-methylimidazole;1-methylpyrazole;2-methylpyridine;1-methylpyrrole;2-methyl-3H-pyrrole has a molecular weight of 1017.36 g/mol, XLogP of 12.27, 0 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dimethyl-1,3-oxazole;tris(2,5-dimethyl-1,3-oxazole);1,3-dimethylpyrazole;2,5-dimethyl-1,3-thiazole;1-methylimidazole;1-methylpyrazole;2-methylpyridine;1-methylpyrrole;2-methyl-3H-pyrrole is sourced from PubChem (CID 157135326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).