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;5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;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;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;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;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;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;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole
C237H339ClF3N29O7S7 — CID 159408586
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC5-(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;5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;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;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;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;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;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;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole
SMILESCC(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)c1n[nH]c(=S)n1C.CC(C)c1ncc(-c2ccccc2)s1.CC(C)c1ncc(-c2ccncc2)s1.CC(C)c1noc(-c2ccc(C(F)(F)F)nc2)n1.CC(C)c1noc(-c2ccc(Cl)cc2)n1.CC(C)c1noc(-c2ccccc2)n1.CC(C)c1noc(-c2ccncc2)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)cc1.Cc1ccc(C(C)C)o1.Cc1ccc(C(C)C)s1.Cc1ccn(C(C)C)c1.Cc1ncc(C(C)C)n1C
InChIInChI=1S/C13H15NS.C12H13NS.C11H11ClN2O.C11H10F3N3O.C11H12N2O.C11H12N2S.C10H11N3O.2C10H17N.C10H16O.C10H16S.C9H16N2.2C9H15N.C9H14.C8H14N2.2C8H13N.C8H12O.C8H12S.C8H12.2C7H11N.C7H10O.C7H10S.C6H11N3S/c1-9(2)13-14-8-12(15-13)11-6-4-10(3)5-7-11;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;1-6(2)9-16-10(18-17-9)7-3-4-8(15-5-7)11(12,13)14;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;1-7(2)9-12-10(14-13-9)8-3-5-11-6-4-8;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;1-4(2)5-7-8-6(10)9(5)3/h4-9H,1-3H3;3-9H,1-2H3;3-7H,1-2H3;3-6H,1-2H3;2*3-8H,1-2H3;3-7H,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;4H,1-3H3,(H,8,10)
InChIKeyLOGYUYMMMGEZBY-UHFFFAOYSA-N
MW4023.43 g/mol
LogP74.26
Rot. Bonds39
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;5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;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;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;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;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;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;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole
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;5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;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;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;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;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;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;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole (PubChem CID 159408586) has the molecular formula C237H339ClF3N29O7S7 and a molecular weight of 4023.43 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;5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;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;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;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;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;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;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole.
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;5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;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;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;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;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;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;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole |
|---|---|
| PubChem CID | 159408586 |
| Molecular Formula | C237H339ClF3N29O7S7 |
| Molecular Weight | 4023.43 g/mol |
| Exact Mass | 4019.47 |
| 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;5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;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;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;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;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;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;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole |
| SMILES | 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)c1n[nH]c(=S)n1C.CC(C)c1ncc(-c2ccccc2)s1.CC(C)c1ncc(-c2ccncc2)s1.CC(C)c1noc(-c2ccc(C(F)(F)F)nc2)n1.CC(C)c1noc(-c2ccc(Cl)cc2)n1.CC(C)c1noc(-c2ccccc2)n1.CC(C)c1noc(-c2ccncc2)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)cc1.Cc1ccc(C(C)C)o1.Cc1ccc(C(C)C)s1.Cc1ccn(C(C)C)c1.Cc1ncc(C(C)C)n1C |
| InChI | InChI=1S/C13H15NS.C12H13NS.C11H11ClN2O.C11H10F3N3O.C11H12N2O.C11H12N2S.C10H11N3O.2C10H17N.C10H16O.C10H16S.C9H16N2.2C9H15N.C9H14.C8H14N2.2C8H13N.C8H12O.C8H12S.C8H12.2C7H11N.C7H10O.C7H10S.C6H11N3S/c1-9(2)13-14-8-12(15-13)11-6-4-10(3)5-7-11;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;1-6(2)9-16-10(18-17-9)7-3-4-8(15-5-7)11(12,13)14;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;1-7(2)9-12-10(14-13-9)8-3-5-11-6-4-8;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;1-4(2)5-7-8-6(10)9(5)3/h4-9H,1-3H3;3-9H,1-2H3;3-7H,1-2H3;3-6H,1-2H3;2*3-8H,1-2H3;3-7H,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;4H,1-3H3,(H,8,10) |
| InChIKey | LOGYUYMMMGEZBY-UHFFFAOYSA-N |
| XLogP | 74.26 |
| TPSA | 417.71 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 40 |
| Rotatable Bonds | 39 |
| Heavy Atoms | 284 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4023.43 |
| LogP ≤ 5 | 74.26 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 40 |
Frequently Asked Questions
What is the IUPAC name of 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;5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;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;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;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;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;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;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole?
The IUPAC name of 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;5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;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;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;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;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;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;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole (CID 159408586) 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;5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;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;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;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;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;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;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole.
What is the SMILES notation for 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;5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;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;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;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;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;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;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole?
The canonical SMILES for 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;5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;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;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;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;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;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;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole is 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)c1n[nH]c(=S)n1C.CC(C)c1ncc(-c2ccccc2)s1.CC(C)c1ncc(-c2ccncc2)s1.CC(C)c1noc(-c2ccc(C(F)(F)F)nc2)n1.CC(C)c1noc(-c2ccc(Cl)cc2)n1.CC(C)c1noc(-c2ccccc2)n1.CC(C)c1noc(-c2ccncc2)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)cc1.Cc1ccc(C(C)C)o1.Cc1ccc(C(C)C)s1.Cc1ccn(C(C)C)c1.Cc1ncc(C(C)C)n1C.
What is the InChIKey of 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;5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;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;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;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;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;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;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole?
The InChIKey is LOGYUYMMMGEZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NS.C12H13NS.C11H11ClN2O.C11H10F3N3O.C11H12N2O.C11H12N2S.C10H11N3O.2C10H17N.C10H16O.C10H16S.C9H16N2.2C9H15N.C9H14.C8H14N2.2C8H13N.C8H12O.C8H12S.C8H12.2C7H11N.C7H10O.C7H10S.C6H11N3S/c1-9(2)13-14-8-12(15-13)11-6-4-10(3)5-7-11;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;1-6(2)9-16-10(18-17-9)7-3-4-8(15-5-7)11(12,13)14;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;1-7(2)9-12-10(14-13-9)8-3-5-11-6-4-8;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;1-4(2)5-7-8-6(10)9(5)3/h4-9H,1-3H3;3-9H,1-2H3;3-7H,1-2H3;3-6H,1-2H3;2*3-8H,1-2H3;3-7H,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;4H,1-3H3,(H,8,10).
What are the key properties of 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;5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;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;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;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;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;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;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole?
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;5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;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;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;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;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;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;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole has a molecular weight of 4023.43 g/mol, XLogP of 74.26, 39 rotatable bonds, 3 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 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;5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;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;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;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;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;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;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole is sourced from PubChem (CID 159408586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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- PubChem CID 159408586 — identifiers, structure, computed properties (public domain)
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