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;2,5-ditert-butyl-4-methyl-1,3-oxazole;2,4-ditert-butyl-5-methyl-1,3-thiazole;1,3-ditert-butyl-2,4,5-trimethylpyrrole;1,3-ditert-butyl-2,4,5-trimethylpyrrolidine

C92H168N6O4S — CID 159563882

IUPAC2,4-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;2,5-ditert-butyl-4-methyl-1,3-oxazole;2,4-ditert-butyl-5-methyl-1,3-thiazole;1,3-ditert-butyl-2,4,5-trimethylpyrrole;1,3-ditert-butyl-2,4,5-trimethylpyrrolidine
SMILESCC1C(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.Cc1nc(C(C)(C)C)oc1C(C)(C)C.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
InChIInChI=1S/C15H31N.C15H27N.C14H24O.C12H23NO.2C12H21NO.C12H21NS/c2*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;2*1-8-9(11(2,3)4)13-10(14-8)12(5,6)7;1-8-9(11(2,3)4)14-10(13-8)12(5,6)7;1-8-9(11(2,3)4)13-10(14-8)12(5,6)7/h10-13H,1-9H3;1-9H3;1-8H3;8-9H,1-7H3;3*1-7H3
InChIKeyMGYQJOAIEOJMMX-UHFFFAOYSA-N
MW1454.46 g/mol
LogP27.60
Rot. Bonds

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;2,5-ditert-butyl-4-methyl-1,3-oxazole;2,4-ditert-butyl-5-methyl-1,3-thiazole;1,3-ditert-butyl-2,4,5-trimethylpyrrole;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;2,5-ditert-butyl-4-methyl-1,3-oxazole;2,4-ditert-butyl-5-methyl-1,3-thiazole;1,3-ditert-butyl-2,4,5-trimethylpyrrole;1,3-ditert-butyl-2,4,5-trimethylpyrrolidine (PubChem CID 159563882) has the molecular formula C92H168N6O4S and a molecular weight of 1454.46 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;2,5-ditert-butyl-4-methyl-1,3-oxazole;2,4-ditert-butyl-5-methyl-1,3-thiazole;1,3-ditert-butyl-2,4,5-trimethylpyrrole;1,3-ditert-butyl-2,4,5-trimethylpyrrolidine.

Molecular Properties

Compound Name2,4-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;2,5-ditert-butyl-4-methyl-1,3-oxazole;2,4-ditert-butyl-5-methyl-1,3-thiazole;1,3-ditert-butyl-2,4,5-trimethylpyrrole;1,3-ditert-butyl-2,4,5-trimethylpyrrolidine
PubChem CID159563882
Molecular FormulaC92H168N6O4S
Molecular Weight1454.46 g/mol
Exact Mass1453.28
IUPAC Name2,4-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;2,5-ditert-butyl-4-methyl-1,3-oxazole;2,4-ditert-butyl-5-methyl-1,3-thiazole;1,3-ditert-butyl-2,4,5-trimethylpyrrole;1,3-ditert-butyl-2,4,5-trimethylpyrrolidine
SMILESCC1C(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.Cc1nc(C(C)(C)C)oc1C(C)(C)C.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
InChIInChI=1S/C15H31N.C15H27N.C14H24O.C12H23NO.2C12H21NO.C12H21NS/c2*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;2*1-8-9(11(2,3)4)13-10(14-8)12(5,6)7;1-8-9(11(2,3)4)14-10(13-8)12(5,6)7;1-8-9(11(2,3)4)13-10(14-8)12(5,6)7/h10-13H,1-9H3;1-9H3;1-8H3;8-9H,1-7H3;3*1-7H3
InChIKeyMGYQJOAIEOJMMX-UHFFFAOYSA-N
XLogP27.60
TPSA107.85 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001454.46
LogP ≤ 527.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 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;2,5-ditert-butyl-4-methyl-1,3-oxazole;2,4-ditert-butyl-5-methyl-1,3-thiazole;1,3-ditert-butyl-2,4,5-trimethylpyrrole;1,3-ditert-butyl-2,4,5-trimethylpyrrolidine with MolForge

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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;2,5-ditert-butyl-4-methyl-1,3-oxazole;2,4-ditert-butyl-5-methyl-1,3-thiazole;1,3-ditert-butyl-2,4,5-trimethylpyrrole;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;2,5-ditert-butyl-4-methyl-1,3-oxazole;2,4-ditert-butyl-5-methyl-1,3-thiazole;1,3-ditert-butyl-2,4,5-trimethylpyrrole;1,3-ditert-butyl-2,4,5-trimethylpyrrolidine (CID 159563882) 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;2,5-ditert-butyl-4-methyl-1,3-oxazole;2,4-ditert-butyl-5-methyl-1,3-thiazole;1,3-ditert-butyl-2,4,5-trimethylpyrrole;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;2,5-ditert-butyl-4-methyl-1,3-oxazole;2,4-ditert-butyl-5-methyl-1,3-thiazole;1,3-ditert-butyl-2,4,5-trimethylpyrrole;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;2,5-ditert-butyl-4-methyl-1,3-oxazole;2,4-ditert-butyl-5-methyl-1,3-thiazole;1,3-ditert-butyl-2,4,5-trimethylpyrrole;1,3-ditert-butyl-2,4,5-trimethylpyrrolidine is 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.Cc1nc(C(C)(C)C)oc1C(C)(C)C.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;2,5-ditert-butyl-4-methyl-1,3-oxazole;2,4-ditert-butyl-5-methyl-1,3-thiazole;1,3-ditert-butyl-2,4,5-trimethylpyrrole;1,3-ditert-butyl-2,4,5-trimethylpyrrolidine?
The InChIKey is MGYQJOAIEOJMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N.C15H27N.C14H24O.C12H23NO.2C12H21NO.C12H21NS/c2*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;2*1-8-9(11(2,3)4)13-10(14-8)12(5,6)7;1-8-9(11(2,3)4)14-10(13-8)12(5,6)7;1-8-9(11(2,3)4)13-10(14-8)12(5,6)7/h10-13H,1-9H3;1-9H3;1-8H3;8-9H,1-7H3;3*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;2,5-ditert-butyl-4-methyl-1,3-oxazole;2,4-ditert-butyl-5-methyl-1,3-thiazole;1,3-ditert-butyl-2,4,5-trimethylpyrrole;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;2,5-ditert-butyl-4-methyl-1,3-oxazole;2,4-ditert-butyl-5-methyl-1,3-thiazole;1,3-ditert-butyl-2,4,5-trimethylpyrrole;1,3-ditert-butyl-2,4,5-trimethylpyrrolidine has a molecular weight of 1454.46 g/mol, XLogP of 27.60, 0 rotatable bonds, 0 hydrogen bond donors, and 11 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;2,5-ditert-butyl-4-methyl-1,3-oxazole;2,4-ditert-butyl-5-methyl-1,3-thiazole;1,3-ditert-butyl-2,4,5-trimethylpyrrole;1,3-ditert-butyl-2,4,5-trimethylpyrrolidine is sourced from PubChem (CID 159563882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).