2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;methane;2,3,4,5-tetramethyl-6-propan-2-ylpyridine;2,3,5-trimethyl-6-propan-2-ylpyrazine;2,4,5-trimethyl-6-propan-2-ylpyrimidine

C57H94N8OS2 — CID 159903994

About 2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;methane;2,3,4,5-tetramethyl-6-propan-2-ylpyridine;2,3,5-trimethyl-6-propan-2-ylpyrazine;2,4,5-trimethyl-6-propan-2-ylpyrimidine

2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;methane;2,3,4,5-tetramethyl-6-propan-2-ylpyridine;2,3,5-trimethyl-6-propan-2-ylpyrazine;2,4,5-trimethyl-6-propan-2-ylpyrimidine (PubChem CID 159903994) has the molecular formula C57H94N8OS2 and a molecular weight of 971.57 g/mol. Its IUPAC name is 2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;methane;2,3,4,5-tetramethyl-6-propan-2-ylpyridine;2,3,5-trimethyl-6-propan-2-ylpyrazine;2,4,5-trimethyl-6-propan-2-ylpyrimidine.

Molecular Properties

• Compound Name: 2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;methane;2,3,4,5-tetramethyl-6-propan-2-ylpyridine;2,3,5-trimethyl-6-propan-2-ylpyrazine;2,4,5-trimethyl-6-propan-2-ylpyrimidine
• PubChem CID: 159903994
• Molecular Formula: C57H94N8OS2
• Molecular Weight: 971.57 g/mol
• Exact Mass: 970.70
• IUPAC Name: 2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;methane;2,3,4,5-tetramethyl-6-propan-2-ylpyridine;2,3,5-trimethyl-6-propan-2-ylpyrazine;2,4,5-trimethyl-6-propan-2-ylpyrimidine
• SMILES: C.Cc1nc(C(C)C)c(C)c(C)c1C.Cc1nc(C(C)C)c(C)o1.Cc1nc(C(C)C)c(C)s1.Cc1nc(C(C)C)sc1C.Cc1nc(C)c(C(C)C)nc1C.Cc1nc(C)c(C)c(C(C)C)n1
• InChI: InChI=1S/C12H19N.2C10H16N2.C8H13NO.2C8H13NS.CH4/c1-7(2)12-10(5)8(3)9(4)11(6)13-12;1-6(2)10-9(5)11-7(3)8(4)12-10;1-6(2)10-7(3)8(4)11-9(5)12-10;2*1-5(2)8-6(3)10-7(4)9-8;1-5(2)8-9-6(3)7(4)10-8;/h7H,1-6H3;2*6H,1-5H3;3*5H,1-4H3;1H4
• InChIKey: NWICFXXBMYFXEI-UHFFFAOYSA-N
• XLogP: 17.31
• TPSA: 116.26 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	971.57
LogP ≤ 5	17.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;methane;2,3,4,5-tetramethyl-6-propan-2-ylpyridine;2,3,5-trimethyl-6-propan-2-ylpyrazine;2,4,5-trimethyl-6-propan-2-ylpyrimidine?

The IUPAC name of 2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;methane;2,3,4,5-tetramethyl-6-propan-2-ylpyridine;2,3,5-trimethyl-6-propan-2-ylpyrazine;2,4,5-trimethyl-6-propan-2-ylpyrimidine (CID 159903994) is 2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;methane;2,3,4,5-tetramethyl-6-propan-2-ylpyridine;2,3,5-trimethyl-6-propan-2-ylpyrazine;2,4,5-trimethyl-6-propan-2-ylpyrimidine.

What is the SMILES notation for 2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;methane;2,3,4,5-tetramethyl-6-propan-2-ylpyridine;2,3,5-trimethyl-6-propan-2-ylpyrazine;2,4,5-trimethyl-6-propan-2-ylpyrimidine?

The canonical SMILES for 2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;methane;2,3,4,5-tetramethyl-6-propan-2-ylpyridine;2,3,5-trimethyl-6-propan-2-ylpyrazine;2,4,5-trimethyl-6-propan-2-ylpyrimidine is C.Cc1nc(C(C)C)c(C)c(C)c1C.Cc1nc(C(C)C)c(C)o1.Cc1nc(C(C)C)c(C)s1.Cc1nc(C(C)C)sc1C.Cc1nc(C)c(C(C)C)nc1C.Cc1nc(C)c(C)c(C(C)C)n1.

What is the InChIKey of 2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;methane;2,3,4,5-tetramethyl-6-propan-2-ylpyridine;2,3,5-trimethyl-6-propan-2-ylpyrazine;2,4,5-trimethyl-6-propan-2-ylpyrimidine?

The InChIKey is NWICFXXBMYFXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N.2C10H16N2.C8H13NO.2C8H13NS.CH4/c1-7(2)12-10(5)8(3)9(4)11(6)13-12;1-6(2)10-9(5)11-7(3)8(4)12-10;1-6(2)10-7(3)8(4)11-9(5)12-10;2*1-5(2)8-6(3)10-7(4)9-8;1-5(2)8-9-6(3)7(4)10-8;/h7H,1-6H3;2*6H,1-5H3;3*5H,1-4H3;1H4.

What are the key properties of 2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;methane;2,3,4,5-tetramethyl-6-propan-2-ylpyridine;2,3,5-trimethyl-6-propan-2-ylpyrazine;2,4,5-trimethyl-6-propan-2-ylpyrimidine?

2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;methane;2,3,4,5-tetramethyl-6-propan-2-ylpyridine;2,3,5-trimethyl-6-propan-2-ylpyrazine;2,4,5-trimethyl-6-propan-2-ylpyrimidine has a molecular weight of 971.57 g/mol, XLogP of 17.31, 6 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;methane;2,3,4,5-tetramethyl-6-propan-2-ylpyridine;2,3,5-trimethyl-6-propan-2-ylpyrazine;2,4,5-trimethyl-6-propan-2-ylpyrimidine is sourced from PubChem (CID 159903994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).