5-(4-chlorophenyl)-3-propan-2-yl-1,2,4-oxadiazole;1,2-dimethyl-5-propan-2-ylimidazole;2,4-dimethyl-1-propan-2-ylpyrrole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-ethyl-1-propan-2-ylpyrrole;methane;1-methyl-4-propan-2-ylcyclopenta-1,3-diene;2-methyl-5-propan-2-ylfuran;2-methyl-4-propan-2-yl-3H-pyrrole;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;1-propan-2-ylpyrrole;4-propan-2-yl-3H-pyrrole;2-propan-2-ylthiophene
C228H382ClN21O5S6 — CID 158031126
Data last refreshed: (MolForge compound catalog, from PubChem)
About 5-(4-chlorophenyl)-3-propan-2-yl-1,2,4-oxadiazole;1,2-dimethyl-5-propan-2-ylimidazole;2,4-dimethyl-1-propan-2-ylpyrrole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-ethyl-1-propan-2-ylpyrrole;methane;1-methyl-4-propan-2-ylcyclopenta-1,3-diene;2-methyl-5-propan-2-ylfuran;2-methyl-4-propan-2-yl-3H-pyrrole;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;1-propan-2-ylpyrrole;4-propan-2-yl-3H-pyrrole;2-propan-2-ylthiophene
5-(4-chlorophenyl)-3-propan-2-yl-1,2,4-oxadiazole;1,2-dimethyl-5-propan-2-ylimidazole;2,4-dimethyl-1-propan-2-ylpyrrole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-ethyl-1-propan-2-ylpyrrole;methane;1-methyl-4-propan-2-ylcyclopenta-1,3-diene;2-methyl-5-propan-2-ylfuran;2-methyl-4-propan-2-yl-3H-pyrrole;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;1-propan-2-ylpyrrole;4-propan-2-yl-3H-pyrrole;2-propan-2-ylthiophene (PubChem CID 158031126) has the molecular formula C228H382ClN21O5S6 and a molecular weight of 3725.56 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-propan-2-yl-1,2,4-oxadiazole;1,2-dimethyl-5-propan-2-ylimidazole;2,4-dimethyl-1-propan-2-ylpyrrole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-ethyl-1-propan-2-ylpyrrole;methane;1-methyl-4-propan-2-ylcyclopenta-1,3-diene;2-methyl-5-propan-2-ylfuran;2-methyl-4-propan-2-yl-3H-pyrrole;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;1-propan-2-ylpyrrole;4-propan-2-yl-3H-pyrrole;2-propan-2-ylthiophene.
Molecular Properties
| Compound Name | 5-(4-chlorophenyl)-3-propan-2-yl-1,2,4-oxadiazole;1,2-dimethyl-5-propan-2-ylimidazole;2,4-dimethyl-1-propan-2-ylpyrrole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-ethyl-1-propan-2-ylpyrrole;methane;1-methyl-4-propan-2-ylcyclopenta-1,3-diene;2-methyl-5-propan-2-ylfuran;2-methyl-4-propan-2-yl-3H-pyrrole;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;1-propan-2-ylpyrrole;4-propan-2-yl-3H-pyrrole;2-propan-2-ylthiophene |
|---|---|
| PubChem CID | 158031126 |
| Molecular Formula | C228H382ClN21O5S6 |
| Molecular Weight | 3725.56 g/mol |
| Exact Mass | 3721.83 |
| IUPAC Name | 5-(4-chlorophenyl)-3-propan-2-yl-1,2,4-oxadiazole;1,2-dimethyl-5-propan-2-ylimidazole;2,4-dimethyl-1-propan-2-ylpyrrole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-ethyl-1-propan-2-ylpyrrole;methane;1-methyl-4-propan-2-ylcyclopenta-1,3-diene;2-methyl-5-propan-2-ylfuran;2-methyl-4-propan-2-yl-3H-pyrrole;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;1-propan-2-ylpyrrole;4-propan-2-yl-3H-pyrrole;2-propan-2-ylthiophene |
| SMILES | C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)C1=CC=CC1.CC(C)C1=CN=CC1.CC(C)c1ccc(C(C)C)[nH]1.CC(C)c1ccc(C(C)C)o1.CC(C)c1ccc(C(C)C)s1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccn(C(C)C)c1.CC(C)c1cnc(C(C)C)[nH]1.CC(C)c1ncc(-c2ccccc2)s1.CC(C)c1ncc(-c2ccncc2)s1.CC(C)c1noc(-c2ccc(Cl)cc2)n1.CC(C)c1noc(-c2ccccc2)n1.CC(C)n1cccc1.CC1=CC=C(C(C)C)C1.CC1=NC=C(C(C)C)C1.CCc1cccn1C(C)C.Cc1cc(C)n(C(C)C)c1.Cc1ccc(-c2cnc(C(C)C)s2)cn1.Cc1ccc(C(C)C)o1.Cc1ccc(C(C)C)s1.Cc1ccn(C(C)C)c1.Cc1ncc(C(C)C)n1C |
| InChI | InChI=1S/C12H14N2S.C12H13NS.C11H11ClN2O.C11H12N2O.C11H12N2S.2C10H17N.C10H16O.C10H16S.C9H16N2.2C9H15N.C9H14.C8H14N2.2C8H13N.C8H12O.C8H12S.C8H12.2C7H11N.C7H10O.C7H10S.19CH4/c1-8(2)12-14-7-11(15-12)10-5-4-9(3)13-6-10;1-9(2)12-13-8-11(14-12)10-6-4-3-5-7-10;1-7(2)10-13-11(15-14-10)8-3-5-9(12)6-4-8;1-8(2)10-12-11(14-13-10)9-6-4-3-5-7-9;1-8(2)11-13-7-10(14-11)9-3-5-12-6-4-9;1-8(2)10-5-6-11(7-10)9(3)4;3*1-7(2)9-5-6-10(11-9)8(3)4;1-6(2)8-5-10-9(11-8)7(3)4;1-7(2)10-6-8(3)5-9(10)4;1-4-9-6-5-7-10(9)8(2)3;1-7(2)9-5-4-8(3)6-9;1-6(2)8-5-9-7(3)10(8)4;1-6(2)8-4-7(3)9-5-8;1-7(2)9-5-4-8(3)6-9;2*1-6(2)8-5-4-7(3)9-8;1-7(2)8-5-3-4-6-8;1-6(2)7-3-4-8-5-7;1-7(2)8-5-3-4-6-8;2*1-6(2)7-4-3-5-8-7;;;;;;;;;;;;;;;;;;;/h4-8H,1-3H3;3-9H,1-2H3;3-7H,1-2H3;2*3-8H,1-2H3;5-9H,1-4H3;5-8,11H,1-4H3;2*5-8H,1-4H3;5-7H,1-4H3,(H,10,11);5-7H,1-4H3;5-8H,4H2,1-3H3;4-5,7H,6H2,1-3H3;5-6H,1-4H3;5-6H,4H2,1-3H3;4-7H,1-3H3;2*4-6H,1-3H3;3-5,7H,6H2,1-2H3;4-6H,3H2,1-2H3;3-7H,1-2H3;2*3-6H,1-2H3;19*1H4 |
| InChIKey | FHENQBOOIXIEBW-UHFFFAOYSA-N |
| XLogP | 78.61 |
| TPSA | 293.37 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 34 |
| Heavy Atoms | 261 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3725.56 |
| LogP ≤ 5 | 78.61 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 30 |
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