Bis(2-tert-butyl-4,5-dimethyl-1,3-oxazole);4-tert-butyl-2,5-dimethyl-1,3-oxazole;bis(2-tert-butyl-4,5-dimethyl-1,3-thiazole);4-tert-butyl-2,5-dimethyl-1,3-thiazole;bis(2-tert-butyl-5-methyl-1H-imidazole);5-tert-butyl-2-methyl-1H-imidazole;ethane;methane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;2-methyl-5-propan-2-ylpyrazine;3-methyl-6-propan-2-ylpyridazine;2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine
C204H407N25O3S3 — CID 159839938
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPACbis(2-tert-butyl-4,5-dimethyl-1,3-oxazole);4-tert-butyl-2,5-dimethyl-1,3-oxazole;bis(2-tert-butyl-4,5-dimethyl-1,3-thiazole);4-tert-butyl-2,5-dimethyl-1,3-thiazole;bis(2-tert-butyl-5-methyl-1H-imidazole);5-tert-butyl-2-methyl-1H-imidazole;ethane;methane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;2-methyl-5-propan-2-ylpyrazine;3-methyl-6-propan-2-ylpyridazine;2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C1CCN(C)CC1.CC(C)N1CCN(C)CC1.CC1CCC(C(C)C)CC1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)nc1.Cc1ccc(C(C)C)nn1.Cc1cnc(C(C)(C)C)[nH]1.Cc1cnc(C(C)(C)C)[nH]1.Cc1cnc(C(C)C)cn1.Cc1cnc(C(C)C)nc1.Cc1nc(C(C)(C)C)c(C)o1.Cc1nc(C(C)(C)C)c(C)s1.Cc1nc(C(C)(C)C)oc1C.Cc1nc(C(C)(C)C)oc1C.Cc1nc(C(C)(C)C)sc1C.Cc1nc(C(C)(C)C)sc1C.Cc1ncc(C(C)(C)C)[nH]1.Cc1ncc(C(C)C)cn1
InChIInChI=1S/C10H20.C10H14.3C9H15NO.3C9H15NS.C9H19N.2C9H13N.C8H18N2.3C8H14N2.4C8H12N2.13C2H6.13CH4/c2*1-8(2)10-6-4-9(3)5-7-10;1-6-8(9(3,4)5)10-7(2)11-6;2*1-6-7(2)11-8(10-6)9(3,4)5;1-6-8(9(3,4)5)10-7(2)11-6;2*1-6-7(2)11-8(10-6)9(3,4)5;1-8(2)9-4-6-10(3)7-5-9;1-7(2)9-5-4-8(3)10-6-9;1-7(2)9-5-4-8(3)6-10-9;1-8(2)10-6-4-9(3)5-7-10;1-6-9-5-7(10-6)8(2,3)4;2*1-6-5-9-7(10-6)8(2,3)4;1-6(2)8-4-9-7(3)10-5-8;1-6(2)8-5-9-7(3)4-10-8;1-6(2)8-9-4-7(3)5-10-8;1-6(2)8-5-4-7(3)9-10-8;13*1-2;;;;;;;;;;;;;/h8-10H,4-7H2,1-3H3;4-8H,1-3H3;6*1-5H3;8-9H,4-7H2,1-3H3;2*4-7H,1-3H3;8H,4-7H2,1-3H3;3*5H,1-4H3,(H,9,10);4*4-6H,1-3H3;13*1-2H3;13*1H4
InChIKeyNONYNHHAZXJVHT-UHFFFAOYSA-N
MW3354.87 g/mol
LogP66.47
Rot. Bonds10
About Bis(2-tert-butyl-4,5-dimethyl-1,3-oxazole);4-tert-butyl-2,5-dimethyl-1,3-oxazole;bis(2-tert-butyl-4,5-dimethyl-1,3-thiazole);4-tert-butyl-2,5-dimethyl-1,3-thiazole;bis(2-tert-butyl-5-methyl-1H-imidazole);5-tert-butyl-2-methyl-1H-imidazole;ethane;methane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;2-methyl-5-propan-2-ylpyrazine;3-methyl-6-propan-2-ylpyridazine;2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine
Bis(2-tert-butyl-4,5-dimethyl-1,3-oxazole);4-tert-butyl-2,5-dimethyl-1,3-oxazole;bis(2-tert-butyl-4,5-dimethyl-1,3-thiazole);4-tert-butyl-2,5-dimethyl-1,3-thiazole;bis(2-tert-butyl-5-methyl-1H-imidazole);5-tert-butyl-2-methyl-1H-imidazole;ethane;methane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;2-methyl-5-propan-2-ylpyrazine;3-methyl-6-propan-2-ylpyridazine;2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine (PubChem CID 159839938) has the molecular formula C204H407N25O3S3 and a molecular weight of 3354.87 g/mol. Its IUPAC name is bis(2-tert-butyl-4,5-dimethyl-1,3-oxazole);4-tert-butyl-2,5-dimethyl-1,3-oxazole;bis(2-tert-butyl-4,5-dimethyl-1,3-thiazole);4-tert-butyl-2,5-dimethyl-1,3-thiazole;bis(2-tert-butyl-5-methyl-1H-imidazole);5-tert-butyl-2-methyl-1H-imidazole;ethane;methane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;2-methyl-5-propan-2-ylpyrazine;3-methyl-6-propan-2-ylpyridazine;2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine.
Molecular Properties
| Compound Name | Bis(2-tert-butyl-4,5-dimethyl-1,3-oxazole);4-tert-butyl-2,5-dimethyl-1,3-oxazole;bis(2-tert-butyl-4,5-dimethyl-1,3-thiazole);4-tert-butyl-2,5-dimethyl-1,3-thiazole;bis(2-tert-butyl-5-methyl-1H-imidazole);5-tert-butyl-2-methyl-1H-imidazole;ethane;methane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;2-methyl-5-propan-2-ylpyrazine;3-methyl-6-propan-2-ylpyridazine;2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine |
|---|---|
| PubChem CID | 159839938 |
| Molecular Formula | C204H407N25O3S3 |
| Molecular Weight | 3354.87 g/mol |
| Exact Mass | 3352.16 |
| IUPAC Name | bis(2-tert-butyl-4,5-dimethyl-1,3-oxazole);4-tert-butyl-2,5-dimethyl-1,3-oxazole;bis(2-tert-butyl-4,5-dimethyl-1,3-thiazole);4-tert-butyl-2,5-dimethyl-1,3-thiazole;bis(2-tert-butyl-5-methyl-1H-imidazole);5-tert-butyl-2-methyl-1H-imidazole;ethane;methane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;2-methyl-5-propan-2-ylpyrazine;3-methyl-6-propan-2-ylpyridazine;2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine |
| SMILES | C.C.C.C.C.C.C.C.C.C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C1CCN(C)CC1.CC(C)N1CCN(C)CC1.CC1CCC(C(C)C)CC1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)nc1.Cc1ccc(C(C)C)nn1.Cc1cnc(C(C)(C)C)[nH]1.Cc1cnc(C(C)(C)C)[nH]1.Cc1cnc(C(C)C)cn1.Cc1cnc(C(C)C)nc1.Cc1nc(C(C)(C)C)c(C)o1.Cc1nc(C(C)(C)C)c(C)s1.Cc1nc(C(C)(C)C)oc1C.Cc1nc(C(C)(C)C)oc1C.Cc1nc(C(C)(C)C)sc1C.Cc1nc(C(C)(C)C)sc1C.Cc1ncc(C(C)(C)C)[nH]1.Cc1ncc(C(C)C)cn1 |
| InChI | InChI=1S/C10H20.C10H14.3C9H15NO.3C9H15NS.C9H19N.2C9H13N.C8H18N2.3C8H14N2.4C8H12N2.13C2H6.13CH4/c2*1-8(2)10-6-4-9(3)5-7-10;1-6-8(9(3,4)5)10-7(2)11-6;2*1-6-7(2)11-8(10-6)9(3,4)5;1-6-8(9(3,4)5)10-7(2)11-6;2*1-6-7(2)11-8(10-6)9(3,4)5;1-8(2)9-4-6-10(3)7-5-9;1-7(2)9-5-4-8(3)10-6-9;1-7(2)9-5-4-8(3)6-10-9;1-8(2)10-6-4-9(3)5-7-10;1-6-9-5-7(10-6)8(2,3)4;2*1-6-5-9-7(10-6)8(2,3)4;1-6(2)8-4-9-7(3)10-5-8;1-6(2)8-5-9-7(3)4-10-8;1-6(2)8-9-4-7(3)5-10-8;1-6(2)8-5-4-7(3)9-10-8;13*1-2;;;;;;;;;;;;;/h8-10H,4-7H2,1-3H3;4-8H,1-3H3;6*1-5H3;8-9H,4-7H2,1-3H3;2*4-7H,1-3H3;8H,4-7H2,1-3H3;3*5H,1-4H3,(H,9,10);4*4-6H,1-3H3;13*1-2H3;13*1H4 |
| InChIKey | NONYNHHAZXJVHT-UHFFFAOYSA-N |
| XLogP | 66.47 |
| TPSA | 341.42 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 10 |
| Heavy Atoms | 235 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3354.87 |
| LogP ≤ 5 | 66.47 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 28 |
Frequently Asked Questions
What is the IUPAC name of Bis(2-tert-butyl-4,5-dimethyl-1,3-oxazole);4-tert-butyl-2,5-dimethyl-1,3-oxazole;bis(2-tert-butyl-4,5-dimethyl-1,3-thiazole);4-tert-butyl-2,5-dimethyl-1,3-thiazole;bis(2-tert-butyl-5-methyl-1H-imidazole);5-tert-butyl-2-methyl-1H-imidazole;ethane;methane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;2-methyl-5-propan-2-ylpyrazine;3-methyl-6-propan-2-ylpyridazine;2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine?
The IUPAC name of Bis(2-tert-butyl-4,5-dimethyl-1,3-oxazole);4-tert-butyl-2,5-dimethyl-1,3-oxazole;bis(2-tert-butyl-4,5-dimethyl-1,3-thiazole);4-tert-butyl-2,5-dimethyl-1,3-thiazole;bis(2-tert-butyl-5-methyl-1H-imidazole);5-tert-butyl-2-methyl-1H-imidazole;ethane;methane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;2-methyl-5-propan-2-ylpyrazine;3-methyl-6-propan-2-ylpyridazine;2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine (CID 159839938) is bis(2-tert-butyl-4,5-dimethyl-1,3-oxazole);4-tert-butyl-2,5-dimethyl-1,3-oxazole;bis(2-tert-butyl-4,5-dimethyl-1,3-thiazole);4-tert-butyl-2,5-dimethyl-1,3-thiazole;bis(2-tert-butyl-5-methyl-1H-imidazole);5-tert-butyl-2-methyl-1H-imidazole;ethane;methane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;2-methyl-5-propan-2-ylpyrazine;3-methyl-6-propan-2-ylpyridazine;2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine.
What is the SMILES notation for Bis(2-tert-butyl-4,5-dimethyl-1,3-oxazole);4-tert-butyl-2,5-dimethyl-1,3-oxazole;bis(2-tert-butyl-4,5-dimethyl-1,3-thiazole);4-tert-butyl-2,5-dimethyl-1,3-thiazole;bis(2-tert-butyl-5-methyl-1H-imidazole);5-tert-butyl-2-methyl-1H-imidazole;ethane;methane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;2-methyl-5-propan-2-ylpyrazine;3-methyl-6-propan-2-ylpyridazine;2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine?
The canonical SMILES for Bis(2-tert-butyl-4,5-dimethyl-1,3-oxazole);4-tert-butyl-2,5-dimethyl-1,3-oxazole;bis(2-tert-butyl-4,5-dimethyl-1,3-thiazole);4-tert-butyl-2,5-dimethyl-1,3-thiazole;bis(2-tert-butyl-5-methyl-1H-imidazole);5-tert-butyl-2-methyl-1H-imidazole;ethane;methane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;2-methyl-5-propan-2-ylpyrazine;3-methyl-6-propan-2-ylpyridazine;2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine is C.C.C.C.C.C.C.C.C.C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C1CCN(C)CC1.CC(C)N1CCN(C)CC1.CC1CCC(C(C)C)CC1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)nc1.Cc1ccc(C(C)C)nn1.Cc1cnc(C(C)(C)C)[nH]1.Cc1cnc(C(C)(C)C)[nH]1.Cc1cnc(C(C)C)cn1.Cc1cnc(C(C)C)nc1.Cc1nc(C(C)(C)C)c(C)o1.Cc1nc(C(C)(C)C)c(C)s1.Cc1nc(C(C)(C)C)oc1C.Cc1nc(C(C)(C)C)oc1C.Cc1nc(C(C)(C)C)sc1C.Cc1nc(C(C)(C)C)sc1C.Cc1ncc(C(C)(C)C)[nH]1.Cc1ncc(C(C)C)cn1.
What is the InChIKey of Bis(2-tert-butyl-4,5-dimethyl-1,3-oxazole);4-tert-butyl-2,5-dimethyl-1,3-oxazole;bis(2-tert-butyl-4,5-dimethyl-1,3-thiazole);4-tert-butyl-2,5-dimethyl-1,3-thiazole;bis(2-tert-butyl-5-methyl-1H-imidazole);5-tert-butyl-2-methyl-1H-imidazole;ethane;methane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;2-methyl-5-propan-2-ylpyrazine;3-methyl-6-propan-2-ylpyridazine;2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine?
The InChIKey is NONYNHHAZXJVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20.C10H14.3C9H15NO.3C9H15NS.C9H19N.2C9H13N.C8H18N2.3C8H14N2.4C8H12N2.13C2H6.13CH4/c2*1-8(2)10-6-4-9(3)5-7-10;1-6-8(9(3,4)5)10-7(2)11-6;2*1-6-7(2)11-8(10-6)9(3,4)5;1-6-8(9(3,4)5)10-7(2)11-6;2*1-6-7(2)11-8(10-6)9(3,4)5;1-8(2)9-4-6-10(3)7-5-9;1-7(2)9-5-4-8(3)10-6-9;1-7(2)9-5-4-8(3)6-10-9;1-8(2)10-6-4-9(3)5-7-10;1-6-9-5-7(10-6)8(2,3)4;2*1-6-5-9-7(10-6)8(2,3)4;1-6(2)8-4-9-7(3)10-5-8;1-6(2)8-5-9-7(3)4-10-8;1-6(2)8-9-4-7(3)5-10-8;1-6(2)8-5-4-7(3)9-10-8;13*1-2;;;;;;;;;;;;;/h8-10H,4-7H2,1-3H3;4-8H,1-3H3;6*1-5H3;8-9H,4-7H2,1-3H3;2*4-7H,1-3H3;8H,4-7H2,1-3H3;3*5H,1-4H3,(H,9,10);4*4-6H,1-3H3;13*1-2H3;13*1H4.
What are the key properties of Bis(2-tert-butyl-4,5-dimethyl-1,3-oxazole);4-tert-butyl-2,5-dimethyl-1,3-oxazole;bis(2-tert-butyl-4,5-dimethyl-1,3-thiazole);4-tert-butyl-2,5-dimethyl-1,3-thiazole;bis(2-tert-butyl-5-methyl-1H-imidazole);5-tert-butyl-2-methyl-1H-imidazole;ethane;methane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;2-methyl-5-propan-2-ylpyrazine;3-methyl-6-propan-2-ylpyridazine;2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine?
Bis(2-tert-butyl-4,5-dimethyl-1,3-oxazole);4-tert-butyl-2,5-dimethyl-1,3-oxazole;bis(2-tert-butyl-4,5-dimethyl-1,3-thiazole);4-tert-butyl-2,5-dimethyl-1,3-thiazole;bis(2-tert-butyl-5-methyl-1H-imidazole);5-tert-butyl-2-methyl-1H-imidazole;ethane;methane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;2-methyl-5-propan-2-ylpyrazine;3-methyl-6-propan-2-ylpyridazine;2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine has a molecular weight of 3354.87 g/mol, XLogP of 66.47, 10 rotatable bonds, 3 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for Bis(2-tert-butyl-4,5-dimethyl-1,3-oxazole);4-tert-butyl-2,5-dimethyl-1,3-oxazole;bis(2-tert-butyl-4,5-dimethyl-1,3-thiazole);4-tert-butyl-2,5-dimethyl-1,3-thiazole;bis(2-tert-butyl-5-methyl-1H-imidazole);5-tert-butyl-2-methyl-1H-imidazole;ethane;methane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;2-methyl-5-propan-2-ylpyrazine;3-methyl-6-propan-2-ylpyridazine;2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine is sourced from PubChem (CID 159839938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 159839938 — identifiers, structure, computed properties (public domain)
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