bis(4,5-dimethyl-2-propan-2-yl-1,3-oxazole);1,4-dimethyl-2-propan-2-ylpyrrole;bis(4,5-dimethyl-2-propan-2-yl-1,3-thiazole);ethane;methane;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;4-methyl-2-propan-2-ylfuran;4-methyl-2-propan-2-ylthiophene;bis(1,4,5-trimethyl-2-propan-2-ylimidazole)

C109H197N9O3S3 — CID 159005479

About bis(4,5-dimethyl-2-propan-2-yl-1,3-oxazole);1,4-dimethyl-2-propan-2-ylpyrrole;bis(4,5-dimethyl-2-propan-2-yl-1,3-thiazole);ethane;methane;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;4-methyl-2-propan-2-ylfuran;4-methyl-2-propan-2-ylthiophene;bis(1,4,5-trimethyl-2-propan-2-ylimidazole)

bis(4,5-dimethyl-2-propan-2-yl-1,3-oxazole);1,4-dimethyl-2-propan-2-ylpyrrole;bis(4,5-dimethyl-2-propan-2-yl-1,3-thiazole);ethane;methane;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;4-methyl-2-propan-2-ylfuran;4-methyl-2-propan-2-ylthiophene;bis(1,4,5-trimethyl-2-propan-2-ylimidazole) (PubChem CID 159005479) has the molecular formula C109H197N9O3S3 and a molecular weight of 1778.04 g/mol. Its IUPAC name is bis(4,5-dimethyl-2-propan-2-yl-1,3-oxazole);1,4-dimethyl-2-propan-2-ylpyrrole;bis(4,5-dimethyl-2-propan-2-yl-1,3-thiazole);ethane;methane;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;4-methyl-2-propan-2-ylfuran;4-methyl-2-propan-2-ylthiophene;bis(1,4,5-trimethyl-2-propan-2-ylimidazole).

Molecular Properties

• Compound Name: bis(4,5-dimethyl-2-propan-2-yl-1,3-oxazole);1,4-dimethyl-2-propan-2-ylpyrrole;bis(4,5-dimethyl-2-propan-2-yl-1,3-thiazole);ethane;methane;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;4-methyl-2-propan-2-ylfuran;4-methyl-2-propan-2-ylthiophene;bis(1,4,5-trimethyl-2-propan-2-ylimidazole)
• PubChem CID: 159005479
• Molecular Formula: C109H197N9O3S3
• Molecular Weight: 1778.04 g/mol
• Exact Mass: 1776.47
• IUPAC Name: bis(4,5-dimethyl-2-propan-2-yl-1,3-oxazole);1,4-dimethyl-2-propan-2-ylpyrrole;bis(4,5-dimethyl-2-propan-2-yl-1,3-thiazole);ethane;methane;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;4-methyl-2-propan-2-ylfuran;4-methyl-2-propan-2-ylthiophene;bis(1,4,5-trimethyl-2-propan-2-ylimidazole)
• SMILES: C.C.C.C.CC.CC.CC.CC.CC.Cc1cc(C(C)C)n(C)c1.Cc1ccc(C(C)C)cc1.Cc1cccc(C(C)C)c1.Cc1coc(C(C)C)c1.Cc1csc(C(C)C)c1.Cc1nc(C(C)C)n(C)c1C.Cc1nc(C(C)C)n(C)c1C.Cc1nc(C(C)C)oc1C.Cc1nc(C(C)C)oc1C.Cc1nc(C(C)C)sc1C.Cc1nc(C(C)C)sc1C
• InChI: InChI=1S/2C10H14.2C9H16N2.C9H15N.2C8H13NO.2C8H13NS.C8H12O.C8H12S.5C2H6.4CH4/c1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-6-4-5-9(3)7-10;2*1-6(2)9-10-7(3)8(4)11(9)5;1-7(2)9-5-8(3)6-10(9)4;4*1-5(2)8-9-6(3)7(4)10-8;2*1-6(2)8-4-7(3)5-9-8;5*1-2;;;;/h2*4-8H,1-3H3;2*6H,1-5H3;5-7H,1-4H3;4*5H,1-4H3;2*4-6H,1-3H3;5*1-2H3;4*1H4
• InChIKey: JRWCNSWSOCTUNI-UHFFFAOYSA-N
• XLogP: 37.18
• TPSA: 131.55 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 11
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1778.04
LogP ≤ 5	37.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of bis(4,5-dimethyl-2-propan-2-yl-1,3-oxazole);1,4-dimethyl-2-propan-2-ylpyrrole;bis(4,5-dimethyl-2-propan-2-yl-1,3-thiazole);ethane;methane;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;4-methyl-2-propan-2-ylfuran;4-methyl-2-propan-2-ylthiophene;bis(1,4,5-trimethyl-2-propan-2-ylimidazole)?

The IUPAC name of bis(4,5-dimethyl-2-propan-2-yl-1,3-oxazole);1,4-dimethyl-2-propan-2-ylpyrrole;bis(4,5-dimethyl-2-propan-2-yl-1,3-thiazole);ethane;methane;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;4-methyl-2-propan-2-ylfuran;4-methyl-2-propan-2-ylthiophene;bis(1,4,5-trimethyl-2-propan-2-ylimidazole) (CID 159005479) is bis(4,5-dimethyl-2-propan-2-yl-1,3-oxazole);1,4-dimethyl-2-propan-2-ylpyrrole;bis(4,5-dimethyl-2-propan-2-yl-1,3-thiazole);ethane;methane;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;4-methyl-2-propan-2-ylfuran;4-methyl-2-propan-2-ylthiophene;bis(1,4,5-trimethyl-2-propan-2-ylimidazole).

What is the SMILES notation for bis(4,5-dimethyl-2-propan-2-yl-1,3-oxazole);1,4-dimethyl-2-propan-2-ylpyrrole;bis(4,5-dimethyl-2-propan-2-yl-1,3-thiazole);ethane;methane;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;4-methyl-2-propan-2-ylfuran;4-methyl-2-propan-2-ylthiophene;bis(1,4,5-trimethyl-2-propan-2-ylimidazole)?

The canonical SMILES for bis(4,5-dimethyl-2-propan-2-yl-1,3-oxazole);1,4-dimethyl-2-propan-2-ylpyrrole;bis(4,5-dimethyl-2-propan-2-yl-1,3-thiazole);ethane;methane;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;4-methyl-2-propan-2-ylfuran;4-methyl-2-propan-2-ylthiophene;bis(1,4,5-trimethyl-2-propan-2-ylimidazole) is C.C.C.C.CC.CC.CC.CC.CC.Cc1cc(C(C)C)n(C)c1.Cc1ccc(C(C)C)cc1.Cc1cccc(C(C)C)c1.Cc1coc(C(C)C)c1.Cc1csc(C(C)C)c1.Cc1nc(C(C)C)n(C)c1C.Cc1nc(C(C)C)n(C)c1C.Cc1nc(C(C)C)oc1C.Cc1nc(C(C)C)oc1C.Cc1nc(C(C)C)sc1C.Cc1nc(C(C)C)sc1C.

What is the InChIKey of bis(4,5-dimethyl-2-propan-2-yl-1,3-oxazole);1,4-dimethyl-2-propan-2-ylpyrrole;bis(4,5-dimethyl-2-propan-2-yl-1,3-thiazole);ethane;methane;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;4-methyl-2-propan-2-ylfuran;4-methyl-2-propan-2-ylthiophene;bis(1,4,5-trimethyl-2-propan-2-ylimidazole)?

The InChIKey is JRWCNSWSOCTUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H14.2C9H16N2.C9H15N.2C8H13NO.2C8H13NS.C8H12O.C8H12S.5C2H6.4CH4/c1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-6-4-5-9(3)7-10;2*1-6(2)9-10-7(3)8(4)11(9)5;1-7(2)9-5-8(3)6-10(9)4;4*1-5(2)8-9-6(3)7(4)10-8;2*1-6(2)8-4-7(3)5-9-8;5*1-2;;;;/h2*4-8H,1-3H3;2*6H,1-5H3;5-7H,1-4H3;4*5H,1-4H3;2*4-6H,1-3H3;5*1-2H3;4*1H4.

What are the key properties of bis(4,5-dimethyl-2-propan-2-yl-1,3-oxazole);1,4-dimethyl-2-propan-2-ylpyrrole;bis(4,5-dimethyl-2-propan-2-yl-1,3-thiazole);ethane;methane;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;4-methyl-2-propan-2-ylfuran;4-methyl-2-propan-2-ylthiophene;bis(1,4,5-trimethyl-2-propan-2-ylimidazole)?

bis(4,5-dimethyl-2-propan-2-yl-1,3-oxazole);1,4-dimethyl-2-propan-2-ylpyrrole;bis(4,5-dimethyl-2-propan-2-yl-1,3-thiazole);ethane;methane;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;4-methyl-2-propan-2-ylfuran;4-methyl-2-propan-2-ylthiophene;bis(1,4,5-trimethyl-2-propan-2-ylimidazole) has a molecular weight of 1778.04 g/mol, XLogP of 37.18, 11 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for bis(4,5-dimethyl-2-propan-2-yl-1,3-oxazole);1,4-dimethyl-2-propan-2-ylpyrrole;bis(4,5-dimethyl-2-propan-2-yl-1,3-thiazole);ethane;methane;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;4-methyl-2-propan-2-ylfuran;4-methyl-2-propan-2-ylthiophene;bis(1,4,5-trimethyl-2-propan-2-ylimidazole) is sourced from PubChem (CID 159005479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).