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

C65H89N15O6S6 — CID 161119600

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

bis(3,5-dimethyl-1,2-oxazole);4,5-dimethyl-1,2-oxazole;bis(3,5-dimethyl-1,2-thiazole);4,5-dimethyl-1,2-thiazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole;1,2,4-trimethylpyrrole (PubChem CID 161119600) has the molecular formula C65H89N15O6S6 and a molecular weight of 1368.93 g/mol. Its IUPAC name is bis(3,5-dimethyl-1,2-oxazole);4,5-dimethyl-1,2-oxazole;bis(3,5-dimethyl-1,2-thiazole);4,5-dimethyl-1,2-thiazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole;1,2,4-trimethylpyrrole.

Molecular Properties

• Compound Name: bis(3,5-dimethyl-1,2-oxazole);4,5-dimethyl-1,2-oxazole;bis(3,5-dimethyl-1,2-thiazole);4,5-dimethyl-1,2-thiazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole;1,2,4-trimethylpyrrole
• PubChem CID: 161119600
• Molecular Formula: C65H89N15O6S6
• Molecular Weight: 1368.93 g/mol
• Exact Mass: 1367.54
• IUPAC Name: bis(3,5-dimethyl-1,2-oxazole);4,5-dimethyl-1,2-oxazole;bis(3,5-dimethyl-1,2-thiazole);4,5-dimethyl-1,2-thiazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole;1,2,4-trimethylpyrrole
• SMILES: Cc1cc(C)n(C)c1.Cc1cc(C)on1.Cc1cc(C)on1.Cc1cc(C)sn1.Cc1cc(C)sn1.Cc1ccno1.Cc1ccns1.Cc1ccon1.Cc1ccsn1.Cc1cnoc1.Cc1cnoc1C.Cc1cnsc1.Cc1cnsc1C.Cn1cccn1
• InChI: InChI=1S/C7H11N.3C5H7NO.3C5H7NS.C4H6N2.3C4H5NO.3C4H5NS/c1-6-4-7(2)8(3)5-6;1-4-3-6-7-5(4)2;2*1-4-3-5(2)7-6-4;1-4-3-6-7-5(4)2;2*1-4-3-5(2)7-6-4;1-6-4-2-3-5-6;1-4-2-5-6-3-4;1-4-2-3-6-5-4;1-4-2-3-5-6-4;1-4-2-5-6-3-4;1-4-2-3-6-5-4;1-4-2-3-5-6-4/h4-5H,1-3H3;6*3H,1-2H3;2-4H,1H3;6*2-3H,1H3
• InChIKey: UKTUODUMLGLSIL-UHFFFAOYSA-N
• XLogP: 18.52
• TPSA: 256.27 Ų
• H-Bond Acceptors: 27
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1368.93
LogP ≤ 5	18.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

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

The IUPAC name of bis(3,5-dimethyl-1,2-oxazole);4,5-dimethyl-1,2-oxazole;bis(3,5-dimethyl-1,2-thiazole);4,5-dimethyl-1,2-thiazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole;1,2,4-trimethylpyrrole (CID 161119600) is bis(3,5-dimethyl-1,2-oxazole);4,5-dimethyl-1,2-oxazole;bis(3,5-dimethyl-1,2-thiazole);4,5-dimethyl-1,2-thiazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole;1,2,4-trimethylpyrrole.

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

The canonical SMILES for bis(3,5-dimethyl-1,2-oxazole);4,5-dimethyl-1,2-oxazole;bis(3,5-dimethyl-1,2-thiazole);4,5-dimethyl-1,2-thiazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole;1,2,4-trimethylpyrrole is Cc1cc(C)n(C)c1.Cc1cc(C)on1.Cc1cc(C)on1.Cc1cc(C)sn1.Cc1cc(C)sn1.Cc1ccno1.Cc1ccns1.Cc1ccon1.Cc1ccsn1.Cc1cnoc1.Cc1cnoc1C.Cc1cnsc1.Cc1cnsc1C.Cn1cccn1.

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

The InChIKey is UKTUODUMLGLSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N.3C5H7NO.3C5H7NS.C4H6N2.3C4H5NO.3C4H5NS/c1-6-4-7(2)8(3)5-6;1-4-3-6-7-5(4)2;2*1-4-3-5(2)7-6-4;1-4-3-6-7-5(4)2;2*1-4-3-5(2)7-6-4;1-6-4-2-3-5-6;1-4-2-5-6-3-4;1-4-2-3-6-5-4;1-4-2-3-5-6-4;1-4-2-5-6-3-4;1-4-2-3-6-5-4;1-4-2-3-5-6-4/h4-5H,1-3H3;6*3H,1-2H3;2-4H,1H3;6*2-3H,1H3.

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

bis(3,5-dimethyl-1,2-oxazole);4,5-dimethyl-1,2-oxazole;bis(3,5-dimethyl-1,2-thiazole);4,5-dimethyl-1,2-thiazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole;1,2,4-trimethylpyrrole has a molecular weight of 1368.93 g/mol, XLogP of 18.52, 0 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for bis(3,5-dimethyl-1,2-oxazole);4,5-dimethyl-1,2-oxazole;bis(3,5-dimethyl-1,2-thiazole);4,5-dimethyl-1,2-thiazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole;1,2,4-trimethylpyrrole is sourced from PubChem (CID 161119600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).