2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);2,5-di(propan-2-yl)pyrazine;2,6-di(propan-2-yl)pyrazine;tris(3,5-di(propan-2-yl)pyridazine);bis(2,4-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyridine);2,6-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;bis(2,4-di(propan-2-yl)pyrimidine);4,6-di(propan-2-yl)pyrimidine;bis(2,5-di(propan-2-yl)tetrazole);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);bis(1,3-di(propan-2-yl)-1,2,4-triazole);bis(1,4-di(propan-2-yl)triazole);bis(2,4-di(propan-2-yl)triazole)
C256H432N60O3S3 — CID 161058793
Data last refreshed: (MolForge compound catalog, from PubChem)
About 2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);2,5-di(propan-2-yl)pyrazine;2,6-di(propan-2-yl)pyrazine;tris(3,5-di(propan-2-yl)pyridazine);bis(2,4-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyridine);2,6-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;bis(2,4-di(propan-2-yl)pyrimidine);4,6-di(propan-2-yl)pyrimidine;bis(2,5-di(propan-2-yl)tetrazole);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);bis(1,3-di(propan-2-yl)-1,2,4-triazole);bis(1,4-di(propan-2-yl)triazole);bis(2,4-di(propan-2-yl)triazole)
2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);2,5-di(propan-2-yl)pyrazine;2,6-di(propan-2-yl)pyrazine;tris(3,5-di(propan-2-yl)pyridazine);bis(2,4-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyridine);2,6-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;bis(2,4-di(propan-2-yl)pyrimidine);4,6-di(propan-2-yl)pyrimidine;bis(2,5-di(propan-2-yl)tetrazole);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);bis(1,3-di(propan-2-yl)-1,2,4-triazole);bis(1,4-di(propan-2-yl)triazole);bis(2,4-di(propan-2-yl)triazole) (PubChem CID 161058793) has the molecular formula C256H432N60O3S3 and a molecular weight of 4494.89 g/mol. Its IUPAC name is 2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);2,5-di(propan-2-yl)pyrazine;2,6-di(propan-2-yl)pyrazine;tris(3,5-di(propan-2-yl)pyridazine);bis(2,4-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyridine);2,6-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;bis(2,4-di(propan-2-yl)pyrimidine);4,6-di(propan-2-yl)pyrimidine;bis(2,5-di(propan-2-yl)tetrazole);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);bis(1,3-di(propan-2-yl)-1,2,4-triazole);bis(1,4-di(propan-2-yl)triazole);bis(2,4-di(propan-2-yl)triazole).
Molecular Properties
| Compound Name | 2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);2,5-di(propan-2-yl)pyrazine;2,6-di(propan-2-yl)pyrazine;tris(3,5-di(propan-2-yl)pyridazine);bis(2,4-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyridine);2,6-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;bis(2,4-di(propan-2-yl)pyrimidine);4,6-di(propan-2-yl)pyrimidine;bis(2,5-di(propan-2-yl)tetrazole);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);bis(1,3-di(propan-2-yl)-1,2,4-triazole);bis(1,4-di(propan-2-yl)triazole);bis(2,4-di(propan-2-yl)triazole) |
|---|---|
| PubChem CID | 161058793 |
| Molecular Formula | C256H432N60O3S3 |
| Molecular Weight | 4494.89 g/mol |
| Exact Mass | 4491.47 |
| IUPAC Name | 2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);2,5-di(propan-2-yl)pyrazine;2,6-di(propan-2-yl)pyrazine;tris(3,5-di(propan-2-yl)pyridazine);bis(2,4-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyridine);2,6-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;bis(2,4-di(propan-2-yl)pyrimidine);4,6-di(propan-2-yl)pyrimidine;bis(2,5-di(propan-2-yl)tetrazole);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);bis(1,3-di(propan-2-yl)-1,2,4-triazole);bis(1,4-di(propan-2-yl)triazole);bis(2,4-di(propan-2-yl)triazole) |
| SMILES | CC(C)c1cc(C(C)C)ncn1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1cccc(C(C)C)n1.CC(C)c1ccnc(C(C)C)c1.CC(C)c1ccnc(C(C)C)c1.CC(C)c1ccnc(C(C)C)n1.CC(C)c1ccnc(C(C)C)n1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cnc(C(C)C)cn1.CC(C)c1cncc(C(C)C)c1.CC(C)c1cncc(C(C)C)n1.CC(C)c1cnn(C(C)C)n1.CC(C)c1cnn(C(C)C)n1.CC(C)c1cnnc(C(C)C)c1.CC(C)c1cnnc(C(C)C)c1.CC(C)c1cnnc(C(C)C)c1.CC(C)c1ncn(C(C)C)n1.CC(C)c1ncn(C(C)C)n1.CC(C)c1nnc(C(C)C)o1.CC(C)c1nnc(C(C)C)s1.CC(C)c1nnn(C(C)C)n1.CC(C)c1nnn(C(C)C)n1.CC(C)c1noc(C(C)C)n1.CC(C)c1noc(C(C)C)n1.CC(C)c1nsc(C(C)C)n1.CC(C)c1nsc(C(C)C)n1 |
| InChI | InChI=1S/6C11H17N.8C10H16N2.6C8H15N3.3C8H14N2O.3C8H14N2S.2C7H14N4/c1-8(2)10-5-11(9(3)4)7-12-6-10;2*1-8(2)10-5-6-12-11(7-10)9(3)4;2*1-8(2)10-5-6-11(9(3)4)12-7-10;1-8(2)10-6-5-7-11(12-10)9(3)4;1-7(2)9-5-12-10(6-11-9)8(3)4;1-7(2)9-5-11-6-10(12-9)8(3)4;1-7(2)9-5-10(8(3)4)12-6-11-9;3*1-7(2)9-5-10(8(3)4)12-11-6-9;2*1-7(2)9-5-6-11-10(12-9)8(3)4;2*1-6(2)8-9-5-11(10-8)7(3)4;2*1-6(2)8-5-11(7(3)4)10-9-8;2*1-6(2)8-5-9-11(10-8)7(3)4;1-5(2)7-9-10-8(11-7)6(3)4;2*1-5(2)7-9-8(6(3)4)11-10-7;1-5(2)7-9-10-8(11-7)6(3)4;2*1-5(2)7-9-8(6(3)4)11-10-7;2*1-5(2)7-8-10-11(9-7)6(3)4/h6*5-9H,1-4H3;8*5-8H,1-4H3;6*5-7H,1-4H3;8*5-6H,1-4H3 |
| InChIKey | UDCQEQADMLNVBK-UHFFFAOYSA-N |
| XLogP | 71.71 |
| TPSA | 749.14 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 66 |
| Rotatable Bonds | 56 |
| Heavy Atoms | 322 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4494.89 |
| LogP ≤ 5 | 71.71 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 66 |
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Sources
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