2,4-dimethyl-5-propan-2-yl-1,3-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;4,5-dimethyl-3-propan-2-yl-1,2-thiazole;1,4-dimethyl-5-propan-2-yltriazole;1,5-dimethyl-3-propan-2-yl-1,2,4-triazole;1,5-dimethyl-4-propan-2-yltriazole;2,4-dimethyl-5-propan-2-yltriazole;4,5-dimethyl-1-propan-2-yltriazole;4,5-dimethyl-2-propan-2-yltriazole;4-methyl-5-propan-2-yloxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;5-methyl-4-propan-2-yloxadiazole;1-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-yltetrazole;5-methyl-1-propan-2-yltetrazole;5-methyl-2-propan-2-yltetrazole
C128H226N46O4S5 — CID 159624882
Data last refreshed: (MolForge compound catalog, from PubChem)
About 2,4-dimethyl-5-propan-2-yl-1,3-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;4,5-dimethyl-3-propan-2-yl-1,2-thiazole;1,4-dimethyl-5-propan-2-yltriazole;1,5-dimethyl-3-propan-2-yl-1,2,4-triazole;1,5-dimethyl-4-propan-2-yltriazole;2,4-dimethyl-5-propan-2-yltriazole;4,5-dimethyl-1-propan-2-yltriazole;4,5-dimethyl-2-propan-2-yltriazole;4-methyl-5-propan-2-yloxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;5-methyl-4-propan-2-yloxadiazole;1-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-yltetrazole;5-methyl-1-propan-2-yltetrazole;5-methyl-2-propan-2-yltetrazole
2,4-dimethyl-5-propan-2-yl-1,3-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;4,5-dimethyl-3-propan-2-yl-1,2-thiazole;1,4-dimethyl-5-propan-2-yltriazole;1,5-dimethyl-3-propan-2-yl-1,2,4-triazole;1,5-dimethyl-4-propan-2-yltriazole;2,4-dimethyl-5-propan-2-yltriazole;4,5-dimethyl-1-propan-2-yltriazole;4,5-dimethyl-2-propan-2-yltriazole;4-methyl-5-propan-2-yloxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;5-methyl-4-propan-2-yloxadiazole;1-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-yltetrazole;5-methyl-1-propan-2-yltetrazole;5-methyl-2-propan-2-yltetrazole (PubChem CID 159624882) has the molecular formula C128H226N46O4S5 and a molecular weight of 2633.87 g/mol. Its IUPAC name is 2,4-dimethyl-5-propan-2-yl-1,3-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;4,5-dimethyl-3-propan-2-yl-1,2-thiazole;1,4-dimethyl-5-propan-2-yltriazole;1,5-dimethyl-3-propan-2-yl-1,2,4-triazole;1,5-dimethyl-4-propan-2-yltriazole;2,4-dimethyl-5-propan-2-yltriazole;4,5-dimethyl-1-propan-2-yltriazole;4,5-dimethyl-2-propan-2-yltriazole;4-methyl-5-propan-2-yloxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;5-methyl-4-propan-2-yloxadiazole;1-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-yltetrazole;5-methyl-1-propan-2-yltetrazole;5-methyl-2-propan-2-yltetrazole.
Molecular Properties
| Compound Name | 2,4-dimethyl-5-propan-2-yl-1,3-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;4,5-dimethyl-3-propan-2-yl-1,2-thiazole;1,4-dimethyl-5-propan-2-yltriazole;1,5-dimethyl-3-propan-2-yl-1,2,4-triazole;1,5-dimethyl-4-propan-2-yltriazole;2,4-dimethyl-5-propan-2-yltriazole;4,5-dimethyl-1-propan-2-yltriazole;4,5-dimethyl-2-propan-2-yltriazole;4-methyl-5-propan-2-yloxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;5-methyl-4-propan-2-yloxadiazole;1-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-yltetrazole;5-methyl-1-propan-2-yltetrazole;5-methyl-2-propan-2-yltetrazole |
|---|---|
| PubChem CID | 159624882 |
| Molecular Formula | C128H226N46O4S5 |
| Molecular Weight | 2633.87 g/mol |
| Exact Mass | 2631.75 |
| IUPAC Name | 2,4-dimethyl-5-propan-2-yl-1,3-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;4,5-dimethyl-3-propan-2-yl-1,2-thiazole;1,4-dimethyl-5-propan-2-yltriazole;1,5-dimethyl-3-propan-2-yl-1,2,4-triazole;1,5-dimethyl-4-propan-2-yltriazole;2,4-dimethyl-5-propan-2-yltriazole;4,5-dimethyl-1-propan-2-yltriazole;4,5-dimethyl-2-propan-2-yltriazole;4-methyl-5-propan-2-yloxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;5-methyl-4-propan-2-yloxadiazole;1-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-yltetrazole;5-methyl-1-propan-2-yltetrazole;5-methyl-2-propan-2-yltetrazole |
| SMILES | CC(C)c1nnn(C)n1.CC(C)c1nnnn1C.Cc1c(C(C)C)nnn1C.Cc1nc(C(C)C)c(C)s1.Cc1nc(C(C)C)nn1C.Cc1nc(C(C)C)no1.Cc1nc(C(C)C)sc1C.Cc1nc(C)c(C(C)C)o1.Cc1nc(C)c(C(C)C)s1.Cc1nn(C(C)C)nc1C.Cc1nn(C)nc1C(C)C.Cc1nnn(C(C)C)c1C.Cc1nnn(C(C)C)n1.Cc1nnn(C)c1C(C)C.Cc1nnnn1C(C)C.Cc1nnoc1C(C)C.Cc1nsc(C)c1C(C)C.Cc1onnc1C(C)C.Cc1snc(C(C)C)c1C |
| InChI | InChI=1S/C8H13NO.5C8H13NS.6C7H13N3.3C6H10N2O.4C5H10N4/c1-5(2)8-6(3)9-7(4)10-8;1-5(2)8-6(3)10-7(4)9-8;1-5(2)8-6(3)9-7(4)10-8;1-5(2)8-6(3)9-10-7(8)4;1-5(2)8-9-6(3)7(4)10-8;1-5(2)8-6(3)7(4)10-9-8;1-5(2)7-8-6(3)10(4)9-7;1-5(2)7-6(3)10(4)9-8-7;1-5(2)7-6(3)8-9-10(7)4;1-5(2)7-6(3)8-10(4)9-7;1-5(2)10-7(4)6(3)8-9-10;1-5(2)10-8-6(3)7(4)9-10;1-4(2)6-7-5(3)9-8-6;1-4(2)6-5(3)9-8-7-6;1-4(2)6-5(3)7-8-9-6;1-4(2)5-6-7-8-9(5)3;1-4(2)5-6-8-9(3)7-5;1-4(2)9-5(3)6-7-8-9;1-4(2)9-7-5(3)6-8-9/h12*5H,1-4H3;7*4H,1-3H3 |
| InChIKey | MOIZPBUKONHKBT-UHFFFAOYSA-N |
| XLogP | 31.07 |
| TPSA | 565.90 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 55 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 183 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2633.87 |
| LogP ≤ 5 | 31.07 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 55 |
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Sources
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