2,4-ditert-butyl-3,5-dimethylfuran;2,4-ditert-butyl-5-methyl-4,5-dihydro-1,3-oxazole;2,4-ditert-butyl-5-methyl-1,3-oxazole;2,4-ditert-butyl-5-methyl-1,3-thiazole;1,3-ditert-butyl-2,4,5-trimethylpyrrole;bis(1,3-ditert-butyl-2,4,5-trimethylpyrrolidine)

C95H178N6O3S — CID 159063832

About 2,4-ditert-butyl-3,5-dimethylfuran;2,4-ditert-butyl-5-methyl-4,5-dihydro-1,3-oxazole;2,4-ditert-butyl-5-methyl-1,3-oxazole;2,4-ditert-butyl-5-methyl-1,3-thiazole;1,3-ditert-butyl-2,4,5-trimethylpyrrole;bis(1,3-ditert-butyl-2,4,5-trimethylpyrrolidine)

2,4-ditert-butyl-3,5-dimethylfuran;2,4-ditert-butyl-5-methyl-4,5-dihydro-1,3-oxazole;2,4-ditert-butyl-5-methyl-1,3-oxazole;2,4-ditert-butyl-5-methyl-1,3-thiazole;1,3-ditert-butyl-2,4,5-trimethylpyrrole;bis(1,3-ditert-butyl-2,4,5-trimethylpyrrolidine) (PubChem CID 159063832) has the molecular formula C95H178N6O3S and a molecular weight of 1484.57 g/mol. Its IUPAC name is 2,4-ditert-butyl-3,5-dimethylfuran;2,4-ditert-butyl-5-methyl-4,5-dihydro-1,3-oxazole;2,4-ditert-butyl-5-methyl-1,3-oxazole;2,4-ditert-butyl-5-methyl-1,3-thiazole;1,3-ditert-butyl-2,4,5-trimethylpyrrole;bis(1,3-ditert-butyl-2,4,5-trimethylpyrrolidine).

Molecular Properties

• Compound Name: 2,4-ditert-butyl-3,5-dimethylfuran;2,4-ditert-butyl-5-methyl-4,5-dihydro-1,3-oxazole;2,4-ditert-butyl-5-methyl-1,3-oxazole;2,4-ditert-butyl-5-methyl-1,3-thiazole;1,3-ditert-butyl-2,4,5-trimethylpyrrole;bis(1,3-ditert-butyl-2,4,5-trimethylpyrrolidine)
• PubChem CID: 159063832
• Molecular Formula: C95H178N6O3S
• Molecular Weight: 1484.57 g/mol
• Exact Mass: 1483.37
• IUPAC Name: 2,4-ditert-butyl-3,5-dimethylfuran;2,4-ditert-butyl-5-methyl-4,5-dihydro-1,3-oxazole;2,4-ditert-butyl-5-methyl-1,3-oxazole;2,4-ditert-butyl-5-methyl-1,3-thiazole;1,3-ditert-butyl-2,4,5-trimethylpyrrole;bis(1,3-ditert-butyl-2,4,5-trimethylpyrrolidine)
• SMILES: CC1C(C)N(C(C)(C)C)C(C)C1C(C)(C)C.CC1C(C)N(C(C)(C)C)C(C)C1C(C)(C)C.CC1OC(C(C)(C)C)=NC1C(C)(C)C.Cc1c(C(C)(C)C)c(C)n(C(C)(C)C)c1C.Cc1oc(C(C)(C)C)c(C)c1C(C)(C)C.Cc1oc(C(C)(C)C)nc1C(C)(C)C.Cc1sc(C(C)(C)C)nc1C(C)(C)C
• InChI: InChI=1S/2C15H31N.C15H27N.C14H24O.C12H23NO.C12H21NO.C12H21NS/c3*1-10-11(2)16(15(7,8)9)12(3)13(10)14(4,5)6;1-9-11(13(3,4)5)10(2)15-12(9)14(6,7)8;3*1-8-9(11(2,3)4)13-10(14-8)12(5,6)7/h2*10-13H,1-9H3;1-9H3;1-8H3;8-9H,1-7H3;2*1-7H3
• InChIKey: JYUNEKBVGHBSRK-UHFFFAOYSA-N
• XLogP: 28.20
• TPSA: 85.06 Ų
• H-Bond Acceptors: 10
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1484.57
LogP ≤ 5	28.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-3,5-dimethylfuran;2,4-ditert-butyl-5-methyl-4,5-dihydro-1,3-oxazole;2,4-ditert-butyl-5-methyl-1,3-oxazole;2,4-ditert-butyl-5-methyl-1,3-thiazole;1,3-ditert-butyl-2,4,5-trimethylpyrrole;bis(1,3-ditert-butyl-2,4,5-trimethylpyrrolidine)?

The IUPAC name of 2,4-ditert-butyl-3,5-dimethylfuran;2,4-ditert-butyl-5-methyl-4,5-dihydro-1,3-oxazole;2,4-ditert-butyl-5-methyl-1,3-oxazole;2,4-ditert-butyl-5-methyl-1,3-thiazole;1,3-ditert-butyl-2,4,5-trimethylpyrrole;bis(1,3-ditert-butyl-2,4,5-trimethylpyrrolidine) (CID 159063832) is 2,4-ditert-butyl-3,5-dimethylfuran;2,4-ditert-butyl-5-methyl-4,5-dihydro-1,3-oxazole;2,4-ditert-butyl-5-methyl-1,3-oxazole;2,4-ditert-butyl-5-methyl-1,3-thiazole;1,3-ditert-butyl-2,4,5-trimethylpyrrole;bis(1,3-ditert-butyl-2,4,5-trimethylpyrrolidine).

What is the SMILES notation for 2,4-ditert-butyl-3,5-dimethylfuran;2,4-ditert-butyl-5-methyl-4,5-dihydro-1,3-oxazole;2,4-ditert-butyl-5-methyl-1,3-oxazole;2,4-ditert-butyl-5-methyl-1,3-thiazole;1,3-ditert-butyl-2,4,5-trimethylpyrrole;bis(1,3-ditert-butyl-2,4,5-trimethylpyrrolidine)?

The canonical SMILES for 2,4-ditert-butyl-3,5-dimethylfuran;2,4-ditert-butyl-5-methyl-4,5-dihydro-1,3-oxazole;2,4-ditert-butyl-5-methyl-1,3-oxazole;2,4-ditert-butyl-5-methyl-1,3-thiazole;1,3-ditert-butyl-2,4,5-trimethylpyrrole;bis(1,3-ditert-butyl-2,4,5-trimethylpyrrolidine) is CC1C(C)N(C(C)(C)C)C(C)C1C(C)(C)C.CC1C(C)N(C(C)(C)C)C(C)C1C(C)(C)C.CC1OC(C(C)(C)C)=NC1C(C)(C)C.Cc1c(C(C)(C)C)c(C)n(C(C)(C)C)c1C.Cc1oc(C(C)(C)C)c(C)c1C(C)(C)C.Cc1oc(C(C)(C)C)nc1C(C)(C)C.Cc1sc(C(C)(C)C)nc1C(C)(C)C.

What is the InChIKey of 2,4-ditert-butyl-3,5-dimethylfuran;2,4-ditert-butyl-5-methyl-4,5-dihydro-1,3-oxazole;2,4-ditert-butyl-5-methyl-1,3-oxazole;2,4-ditert-butyl-5-methyl-1,3-thiazole;1,3-ditert-butyl-2,4,5-trimethylpyrrole;bis(1,3-ditert-butyl-2,4,5-trimethylpyrrolidine)?

The InChIKey is JYUNEKBVGHBSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H31N.C15H27N.C14H24O.C12H23NO.C12H21NO.C12H21NS/c3*1-10-11(2)16(15(7,8)9)12(3)13(10)14(4,5)6;1-9-11(13(3,4)5)10(2)15-12(9)14(6,7)8;3*1-8-9(11(2,3)4)13-10(14-8)12(5,6)7/h2*10-13H,1-9H3;1-9H3;1-8H3;8-9H,1-7H3;2*1-7H3.

What are the key properties of 2,4-ditert-butyl-3,5-dimethylfuran;2,4-ditert-butyl-5-methyl-4,5-dihydro-1,3-oxazole;2,4-ditert-butyl-5-methyl-1,3-oxazole;2,4-ditert-butyl-5-methyl-1,3-thiazole;1,3-ditert-butyl-2,4,5-trimethylpyrrole;bis(1,3-ditert-butyl-2,4,5-trimethylpyrrolidine)?

2,4-ditert-butyl-3,5-dimethylfuran;2,4-ditert-butyl-5-methyl-4,5-dihydro-1,3-oxazole;2,4-ditert-butyl-5-methyl-1,3-oxazole;2,4-ditert-butyl-5-methyl-1,3-thiazole;1,3-ditert-butyl-2,4,5-trimethylpyrrole;bis(1,3-ditert-butyl-2,4,5-trimethylpyrrolidine) has a molecular weight of 1484.57 g/mol, XLogP of 28.20, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-ditert-butyl-3,5-dimethylfuran;2,4-ditert-butyl-5-methyl-4,5-dihydro-1,3-oxazole;2,4-ditert-butyl-5-methyl-1,3-oxazole;2,4-ditert-butyl-5-methyl-1,3-thiazole;1,3-ditert-butyl-2,4,5-trimethylpyrrole;bis(1,3-ditert-butyl-2,4,5-trimethylpyrrolidine) is sourced from PubChem (CID 159063832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).