3,5-dimethyl-1,2-oxazole;bis(2,4-dimethyl-1,3-thiazole);4,5-dimethyl-1,3-thiazole;methane;2-methylfuran;2-methylpyridine;1-methylpyrrolidine;2-methyl-1,3-thiazole;2,3,4-trimethylfuran;2,3,5-trimethylfuran

C55H81N7O4S4 — CID 159751266

About 3,5-dimethyl-1,2-oxazole;bis(2,4-dimethyl-1,3-thiazole);4,5-dimethyl-1,3-thiazole;methane;2-methylfuran;2-methylpyridine;1-methylpyrrolidine;2-methyl-1,3-thiazole;2,3,4-trimethylfuran;2,3,5-trimethylfuran

3,5-dimethyl-1,2-oxazole;bis(2,4-dimethyl-1,3-thiazole);4,5-dimethyl-1,3-thiazole;methane;2-methylfuran;2-methylpyridine;1-methylpyrrolidine;2-methyl-1,3-thiazole;2,3,4-trimethylfuran;2,3,5-trimethylfuran (PubChem CID 159751266) has the molecular formula C55H81N7O4S4 and a molecular weight of 1032.57 g/mol. Its IUPAC name is 3,5-dimethyl-1,2-oxazole;bis(2,4-dimethyl-1,3-thiazole);4,5-dimethyl-1,3-thiazole;methane;2-methylfuran;2-methylpyridine;1-methylpyrrolidine;2-methyl-1,3-thiazole;2,3,4-trimethylfuran;2,3,5-trimethylfuran.

Molecular Properties

• Compound Name: 3,5-dimethyl-1,2-oxazole;bis(2,4-dimethyl-1,3-thiazole);4,5-dimethyl-1,3-thiazole;methane;2-methylfuran;2-methylpyridine;1-methylpyrrolidine;2-methyl-1,3-thiazole;2,3,4-trimethylfuran;2,3,5-trimethylfuran
• PubChem CID: 159751266
• Molecular Formula: C55H81N7O4S4
• Molecular Weight: 1032.57 g/mol
• Exact Mass: 1031.52
• IUPAC Name: 3,5-dimethyl-1,2-oxazole;bis(2,4-dimethyl-1,3-thiazole);4,5-dimethyl-1,3-thiazole;methane;2-methylfuran;2-methylpyridine;1-methylpyrrolidine;2-methyl-1,3-thiazole;2,3,4-trimethylfuran;2,3,5-trimethylfuran
• SMILES: C.CN1CCCC1.Cc1cc(C)c(C)o1.Cc1cc(C)on1.Cc1ccccn1.Cc1ccco1.Cc1coc(C)c1C.Cc1csc(C)n1.Cc1csc(C)n1.Cc1nccs1.Cc1ncsc1C
• InChI: InChI=1S/2C7H10O.C6H7N.C5H7NO.3C5H7NS.C5H11N.C5H6O.C4H5NS.CH4/c1-5-4-8-7(3)6(5)2;1-5-4-6(2)8-7(5)3;1-6-4-2-3-5-7-6;1-4-3-5(2)7-6-4;1-4-5(2)7-3-6-4;2*1-4-3-7-5(2)6-4;1-6-4-2-3-5-6;1-5-3-2-4-6-5;1-4-5-2-3-6-4;/h2*4H,1-3H3;2-5H,1H3;4*3H,1-2H3;2-5H2,1H3;2-4H,1H3;2-3H,1H3;1H4
• InChIKey: NDRLAWNKNLXPDC-UHFFFAOYSA-N
• XLogP: 16.76
• TPSA: 133.14 Ų
• H-Bond Acceptors: 15
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1032.57
LogP ≤ 5	16.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1,2-oxazole;bis(2,4-dimethyl-1,3-thiazole);4,5-dimethyl-1,3-thiazole;methane;2-methylfuran;2-methylpyridine;1-methylpyrrolidine;2-methyl-1,3-thiazole;2,3,4-trimethylfuran;2,3,5-trimethylfuran?

The IUPAC name of 3,5-dimethyl-1,2-oxazole;bis(2,4-dimethyl-1,3-thiazole);4,5-dimethyl-1,3-thiazole;methane;2-methylfuran;2-methylpyridine;1-methylpyrrolidine;2-methyl-1,3-thiazole;2,3,4-trimethylfuran;2,3,5-trimethylfuran (CID 159751266) is 3,5-dimethyl-1,2-oxazole;bis(2,4-dimethyl-1,3-thiazole);4,5-dimethyl-1,3-thiazole;methane;2-methylfuran;2-methylpyridine;1-methylpyrrolidine;2-methyl-1,3-thiazole;2,3,4-trimethylfuran;2,3,5-trimethylfuran.

What is the SMILES notation for 3,5-dimethyl-1,2-oxazole;bis(2,4-dimethyl-1,3-thiazole);4,5-dimethyl-1,3-thiazole;methane;2-methylfuran;2-methylpyridine;1-methylpyrrolidine;2-methyl-1,3-thiazole;2,3,4-trimethylfuran;2,3,5-trimethylfuran?

The canonical SMILES for 3,5-dimethyl-1,2-oxazole;bis(2,4-dimethyl-1,3-thiazole);4,5-dimethyl-1,3-thiazole;methane;2-methylfuran;2-methylpyridine;1-methylpyrrolidine;2-methyl-1,3-thiazole;2,3,4-trimethylfuran;2,3,5-trimethylfuran is C.CN1CCCC1.Cc1cc(C)c(C)o1.Cc1cc(C)on1.Cc1ccccn1.Cc1ccco1.Cc1coc(C)c1C.Cc1csc(C)n1.Cc1csc(C)n1.Cc1nccs1.Cc1ncsc1C.

What is the InChIKey of 3,5-dimethyl-1,2-oxazole;bis(2,4-dimethyl-1,3-thiazole);4,5-dimethyl-1,3-thiazole;methane;2-methylfuran;2-methylpyridine;1-methylpyrrolidine;2-methyl-1,3-thiazole;2,3,4-trimethylfuran;2,3,5-trimethylfuran?

The InChIKey is NDRLAWNKNLXPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H10O.C6H7N.C5H7NO.3C5H7NS.C5H11N.C5H6O.C4H5NS.CH4/c1-5-4-8-7(3)6(5)2;1-5-4-6(2)8-7(5)3;1-6-4-2-3-5-7-6;1-4-3-5(2)7-6-4;1-4-5(2)7-3-6-4;2*1-4-3-7-5(2)6-4;1-6-4-2-3-5-6;1-5-3-2-4-6-5;1-4-5-2-3-6-4;/h2*4H,1-3H3;2-5H,1H3;4*3H,1-2H3;2-5H2,1H3;2-4H,1H3;2-3H,1H3;1H4.

What are the key properties of 3,5-dimethyl-1,2-oxazole;bis(2,4-dimethyl-1,3-thiazole);4,5-dimethyl-1,3-thiazole;methane;2-methylfuran;2-methylpyridine;1-methylpyrrolidine;2-methyl-1,3-thiazole;2,3,4-trimethylfuran;2,3,5-trimethylfuran?

3,5-dimethyl-1,2-oxazole;bis(2,4-dimethyl-1,3-thiazole);4,5-dimethyl-1,3-thiazole;methane;2-methylfuran;2-methylpyridine;1-methylpyrrolidine;2-methyl-1,3-thiazole;2,3,4-trimethylfuran;2,3,5-trimethylfuran has a molecular weight of 1032.57 g/mol, XLogP of 16.76, 0 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dimethyl-1,2-oxazole;bis(2,4-dimethyl-1,3-thiazole);4,5-dimethyl-1,3-thiazole;methane;2-methylfuran;2-methylpyridine;1-methylpyrrolidine;2-methyl-1,3-thiazole;2,3,4-trimethylfuran;2,3,5-trimethylfuran is sourced from PubChem (CID 159751266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).