1,3-ditert-butyl-4,5-dimethylpyrrolidin-2-one;2,4-ditert-butyl-5-methyl-4,5-dihydro-1,3-oxazole;3,5-ditert-butyl-4-methyl-4,5-dihydro-1,2-oxazole;2,5-ditert-butyl-4-methyl-1,3-oxazole;3,5-ditert-butyl-4-methyl-1,2-oxazole;2,5-ditert-butyl-4-methyl-1,3-thiazole;2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole

C94H172N10O7S — CID 159513920

About 1,3-ditert-butyl-4,5-dimethylpyrrolidin-2-one;2,4-ditert-butyl-5-methyl-4,5-dihydro-1,3-oxazole;3,5-ditert-butyl-4-methyl-4,5-dihydro-1,2-oxazole;2,5-ditert-butyl-4-methyl-1,3-oxazole;3,5-ditert-butyl-4-methyl-1,2-oxazole;2,5-ditert-butyl-4-methyl-1,3-thiazole;2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole

1,3-ditert-butyl-4,5-dimethylpyrrolidin-2-one;2,4-ditert-butyl-5-methyl-4,5-dihydro-1,3-oxazole;3,5-ditert-butyl-4-methyl-4,5-dihydro-1,2-oxazole;2,5-ditert-butyl-4-methyl-1,3-oxazole;3,5-ditert-butyl-4-methyl-1,2-oxazole;2,5-ditert-butyl-4-methyl-1,3-thiazole;2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole (PubChem CID 159513920) has the molecular formula C94H172N10O7S and a molecular weight of 1586.54 g/mol. Its IUPAC name is 1,3-ditert-butyl-4,5-dimethylpyrrolidin-2-one;2,4-ditert-butyl-5-methyl-4,5-dihydro-1,3-oxazole;3,5-ditert-butyl-4-methyl-4,5-dihydro-1,2-oxazole;2,5-ditert-butyl-4-methyl-1,3-oxazole;3,5-ditert-butyl-4-methyl-1,2-oxazole;2,5-ditert-butyl-4-methyl-1,3-thiazole;2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 1,3-ditert-butyl-4,5-dimethylpyrrolidin-2-one;2,4-ditert-butyl-5-methyl-4,5-dihydro-1,3-oxazole;3,5-ditert-butyl-4-methyl-4,5-dihydro-1,2-oxazole;2,5-ditert-butyl-4-methyl-1,3-oxazole;3,5-ditert-butyl-4-methyl-1,2-oxazole;2,5-ditert-butyl-4-methyl-1,3-thiazole;2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole
• PubChem CID: 159513920
• Molecular Formula: C94H172N10O7S
• Molecular Weight: 1586.54 g/mol
• Exact Mass: 1585.31
• IUPAC Name: 1,3-ditert-butyl-4,5-dimethylpyrrolidin-2-one;2,4-ditert-butyl-5-methyl-4,5-dihydro-1,3-oxazole;3,5-ditert-butyl-4-methyl-4,5-dihydro-1,2-oxazole;2,5-ditert-butyl-4-methyl-1,3-oxazole;3,5-ditert-butyl-4-methyl-1,2-oxazole;2,5-ditert-butyl-4-methyl-1,3-thiazole;2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole
• SMILES: CC(C)(C)c1nnc(C(C)(C)C)o1.CC(C)(C)c1noc(C(C)(C)C)n1.CC1C(C(C)(C)C)=NOC1C(C)(C)C.CC1C(C)N(C(C)(C)C)C(=O)C1C(C)(C)C.CC1OC(C(C)(C)C)=NC1C(C)(C)C.Cc1c(C(C)(C)C)noc1C(C)(C)C.Cc1nc(C(C)(C)C)oc1C(C)(C)C.Cc1nc(C(C)(C)C)sc1C(C)(C)C
• InChI: InChI=1S/C14H27NO.C12H23NO.C12H21NO.C12H23NO.C12H21NO.C12H21NS.2C10H18N2O/c1-9-10(2)15(14(6,7)8)12(16)11(9)13(3,4)5;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;2*1-8-9(11(2,3)4)13-14-10(8)12(5,6)7;1-8-9(11(2,3)4)14-10(13-8)12(5,6)7;1-9(2,3)7-11-12-8(13-7)10(4,5)6;1-9(2,3)7-11-8(13-12-7)10(4,5)6/h9-11H,1-8H3;8-9H,1-7H3;1-7H3;8,10H,1-7H3;2*1-7H3;2*1-6H3
• InChIKey: MAYCHTSLKYINJT-UHFFFAOYSA-N
• XLogP: 26.58
• TPSA: 206.28 Ų
• H-Bond Acceptors: 17
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1586.54
LogP ≤ 5	26.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 1,3-ditert-butyl-4,5-dimethylpyrrolidin-2-one;2,4-ditert-butyl-5-methyl-4,5-dihydro-1,3-oxazole;3,5-ditert-butyl-4-methyl-4,5-dihydro-1,2-oxazole;2,5-ditert-butyl-4-methyl-1,3-oxazole;3,5-ditert-butyl-4-methyl-1,2-oxazole;2,5-ditert-butyl-4-methyl-1,3-thiazole;2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole?

The IUPAC name of 1,3-ditert-butyl-4,5-dimethylpyrrolidin-2-one;2,4-ditert-butyl-5-methyl-4,5-dihydro-1,3-oxazole;3,5-ditert-butyl-4-methyl-4,5-dihydro-1,2-oxazole;2,5-ditert-butyl-4-methyl-1,3-oxazole;3,5-ditert-butyl-4-methyl-1,2-oxazole;2,5-ditert-butyl-4-methyl-1,3-thiazole;2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole (CID 159513920) is 1,3-ditert-butyl-4,5-dimethylpyrrolidin-2-one;2,4-ditert-butyl-5-methyl-4,5-dihydro-1,3-oxazole;3,5-ditert-butyl-4-methyl-4,5-dihydro-1,2-oxazole;2,5-ditert-butyl-4-methyl-1,3-oxazole;3,5-ditert-butyl-4-methyl-1,2-oxazole;2,5-ditert-butyl-4-methyl-1,3-thiazole;2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole.

What is the SMILES notation for 1,3-ditert-butyl-4,5-dimethylpyrrolidin-2-one;2,4-ditert-butyl-5-methyl-4,5-dihydro-1,3-oxazole;3,5-ditert-butyl-4-methyl-4,5-dihydro-1,2-oxazole;2,5-ditert-butyl-4-methyl-1,3-oxazole;3,5-ditert-butyl-4-methyl-1,2-oxazole;2,5-ditert-butyl-4-methyl-1,3-thiazole;2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole?

The canonical SMILES for 1,3-ditert-butyl-4,5-dimethylpyrrolidin-2-one;2,4-ditert-butyl-5-methyl-4,5-dihydro-1,3-oxazole;3,5-ditert-butyl-4-methyl-4,5-dihydro-1,2-oxazole;2,5-ditert-butyl-4-methyl-1,3-oxazole;3,5-ditert-butyl-4-methyl-1,2-oxazole;2,5-ditert-butyl-4-methyl-1,3-thiazole;2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole is CC(C)(C)c1nnc(C(C)(C)C)o1.CC(C)(C)c1noc(C(C)(C)C)n1.CC1C(C(C)(C)C)=NOC1C(C)(C)C.CC1C(C)N(C(C)(C)C)C(=O)C1C(C)(C)C.CC1OC(C(C)(C)C)=NC1C(C)(C)C.Cc1c(C(C)(C)C)noc1C(C)(C)C.Cc1nc(C(C)(C)C)oc1C(C)(C)C.Cc1nc(C(C)(C)C)sc1C(C)(C)C.

What is the InChIKey of 1,3-ditert-butyl-4,5-dimethylpyrrolidin-2-one;2,4-ditert-butyl-5-methyl-4,5-dihydro-1,3-oxazole;3,5-ditert-butyl-4-methyl-4,5-dihydro-1,2-oxazole;2,5-ditert-butyl-4-methyl-1,3-oxazole;3,5-ditert-butyl-4-methyl-1,2-oxazole;2,5-ditert-butyl-4-methyl-1,3-thiazole;2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole?

The InChIKey is MAYCHTSLKYINJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO.C12H23NO.C12H21NO.C12H23NO.C12H21NO.C12H21NS.2C10H18N2O/c1-9-10(2)15(14(6,7)8)12(16)11(9)13(3,4)5;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;2*1-8-9(11(2,3)4)13-14-10(8)12(5,6)7;1-8-9(11(2,3)4)14-10(13-8)12(5,6)7;1-9(2,3)7-11-12-8(13-7)10(4,5)6;1-9(2,3)7-11-8(13-12-7)10(4,5)6/h9-11H,1-8H3;8-9H,1-7H3;1-7H3;8,10H,1-7H3;2*1-7H3;2*1-6H3.

What are the key properties of 1,3-ditert-butyl-4,5-dimethylpyrrolidin-2-one;2,4-ditert-butyl-5-methyl-4,5-dihydro-1,3-oxazole;3,5-ditert-butyl-4-methyl-4,5-dihydro-1,2-oxazole;2,5-ditert-butyl-4-methyl-1,3-oxazole;3,5-ditert-butyl-4-methyl-1,2-oxazole;2,5-ditert-butyl-4-methyl-1,3-thiazole;2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole?

1,3-ditert-butyl-4,5-dimethylpyrrolidin-2-one;2,4-ditert-butyl-5-methyl-4,5-dihydro-1,3-oxazole;3,5-ditert-butyl-4-methyl-4,5-dihydro-1,2-oxazole;2,5-ditert-butyl-4-methyl-1,3-oxazole;3,5-ditert-butyl-4-methyl-1,2-oxazole;2,5-ditert-butyl-4-methyl-1,3-thiazole;2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole has a molecular weight of 1586.54 g/mol, XLogP of 26.58, 0 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-ditert-butyl-4,5-dimethylpyrrolidin-2-one;2,4-ditert-butyl-5-methyl-4,5-dihydro-1,3-oxazole;3,5-ditert-butyl-4-methyl-4,5-dihydro-1,2-oxazole;2,5-ditert-butyl-4-methyl-1,3-oxazole;3,5-ditert-butyl-4-methyl-1,2-oxazole;2,5-ditert-butyl-4-methyl-1,3-thiazole;2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole is sourced from PubChem (CID 159513920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).