1-benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(difluoromethyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-4-methylthiophene;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2-oxazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-1,2,4-triazole;2-fluoro-4-propan-2-ylpyridine;5-methyl-2-propan-2-yl-1,3-oxazole;(5-propan-2-yl-1,2-oxazol-3-yl)methanol;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-propan-2-ylpyridine
C165H256F11N27O10S2 — CID 157067177
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC1-benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(difluoromethyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-4-methylthiophene;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2-oxazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-1,2,4-triazole;2-fluoro-4-propan-2-ylpyridine;5-methyl-2-propan-2-yl-1,3-oxazole;(5-propan-2-yl-1,2-oxazol-3-yl)methanol;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-propan-2-ylpyridine
SMILESCC(C)(C)c1cc(CC(F)(F)F)no1.CC(C)(C)c1nc(C(F)F)no1.CC(C)(C)c1nc(CC(F)(F)F)no1.CC(C)c1cc(CO)no1.CC(C)c1cccnc1.CC(C)c1ccnc(F)c1.CC(C)c1cnn(C(C)C)c1.CC(C)c1cnn(CCN2CCOCC2)c1.CC(C)c1cnn(Cc2ccccc2)c1.CC(C)c1ncn(C(C)C)n1.CC(F)(F)Cn1cc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)o1.Cc1cn(C)nc1C(C)C.Cc1cnc(C(C)C)o1.Cc1coc(C(C)(C)C)c1.Cc1coc(C(C)(C)C)n1.Cc1csc(C(C)(C)C)c1.Cc1ncc(C(C)(C)C)s1.Cc1nn(C)cc1C(C)C
InChIInChI=1S/C13H16N2.C12H21N3O.C10H16F2N2.C9H12F3NO.C9H16N2.2C9H14O.C9H14S.C8H11F3N2O.C8H10FN.C8H15N3.2C8H14N2.C8H13NO.C8H13NS.C8H11N.C7H10F2N2O.C7H11NO2.C7H11NO/c1-11(2)13-8-14-15(10-13)9-12-6-4-3-5-7-12;1-11(2)12-9-13-15(10-12)4-3-14-5-7-16-8-6-14;1-9(2,3)8-5-13-14(6-8)7-10(4,11)12;1-8(2,3)7-4-6(13-14-7)5-9(10,11)12;1-7(2)9-5-10-11(6-9)8(3)4;1-7-5-8(10-6-7)9(2,3)4;1-7-5-6-8(10-7)9(2,3)4;1-7-5-8(10-6-7)9(2,3)4;1-7(2,3)6-12-5(13-14-6)4-8(9,10)11;1-6(2)7-3-4-10-8(9)5-7;1-6(2)8-9-5-11(10-8)7(3)4;1-6(2)8-5-10(4)9-7(8)3;1-6(2)8-7(3)5-10(4)9-8;1-6-5-10-7(9-6)8(2,3)4;1-6-9-5-7(10-6)8(2,3)4;1-7(2)8-4-3-5-9-6-8;1-7(2,3)6-10-5(4(8)9)11-12-6;1-5(2)7-3-6(4-9)8-10-7;1-5(2)7-8-4-6(3)9-7/h3-8,10-11H,9H2,1-2H3;9-11H,3-8H2,1-2H3;5-6H,7H2,1-4H3;4H,5H2,1-3H3;5-8H,1-4H3;3*5-6H,1-4H3;4H2,1-3H3;3-6H,1-2H3;5-7H,1-4H3;2*5-6H,1-4H3;2*5H,1-4H3;3-7H,1-2H3;4H,1-3H3;3,5,9H,4H2,1-2H3;4-5H,1-3H3
InChIKeyABZZFGYJHWYQDW-UHFFFAOYSA-N
MW3051.15 g/mol
LogP45.46
Rot. Bonds23
About 1-benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(difluoromethyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-4-methylthiophene;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2-oxazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-1,2,4-triazole;2-fluoro-4-propan-2-ylpyridine;5-methyl-2-propan-2-yl-1,3-oxazole;(5-propan-2-yl-1,2-oxazol-3-yl)methanol;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-propan-2-ylpyridine
1-benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(difluoromethyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-4-methylthiophene;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2-oxazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-1,2,4-triazole;2-fluoro-4-propan-2-ylpyridine;5-methyl-2-propan-2-yl-1,3-oxazole;(5-propan-2-yl-1,2-oxazol-3-yl)methanol;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-propan-2-ylpyridine (PubChem CID 157067177) has the molecular formula C165H256F11N27O10S2 and a molecular weight of 3051.15 g/mol. Its IUPAC name is 1-benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(difluoromethyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-4-methylthiophene;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2-oxazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-1,2,4-triazole;2-fluoro-4-propan-2-ylpyridine;5-methyl-2-propan-2-yl-1,3-oxazole;(5-propan-2-yl-1,2-oxazol-3-yl)methanol;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-propan-2-ylpyridine.
Molecular Properties
| Compound Name | 1-benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(difluoromethyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-4-methylthiophene;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2-oxazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-1,2,4-triazole;2-fluoro-4-propan-2-ylpyridine;5-methyl-2-propan-2-yl-1,3-oxazole;(5-propan-2-yl-1,2-oxazol-3-yl)methanol;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-propan-2-ylpyridine |
|---|---|
| PubChem CID | 157067177 |
| Molecular Formula | C165H256F11N27O10S2 |
| Molecular Weight | 3051.15 g/mol |
| Exact Mass | 3048.96 |
| IUPAC Name | 1-benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(difluoromethyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-4-methylthiophene;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2-oxazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-1,2,4-triazole;2-fluoro-4-propan-2-ylpyridine;5-methyl-2-propan-2-yl-1,3-oxazole;(5-propan-2-yl-1,2-oxazol-3-yl)methanol;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-propan-2-ylpyridine |
| SMILES | CC(C)(C)c1cc(CC(F)(F)F)no1.CC(C)(C)c1nc(C(F)F)no1.CC(C)(C)c1nc(CC(F)(F)F)no1.CC(C)c1cc(CO)no1.CC(C)c1cccnc1.CC(C)c1ccnc(F)c1.CC(C)c1cnn(C(C)C)c1.CC(C)c1cnn(CCN2CCOCC2)c1.CC(C)c1cnn(Cc2ccccc2)c1.CC(C)c1ncn(C(C)C)n1.CC(F)(F)Cn1cc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)o1.Cc1cn(C)nc1C(C)C.Cc1cnc(C(C)C)o1.Cc1coc(C(C)(C)C)c1.Cc1coc(C(C)(C)C)n1.Cc1csc(C(C)(C)C)c1.Cc1ncc(C(C)(C)C)s1.Cc1nn(C)cc1C(C)C |
| InChI | InChI=1S/C13H16N2.C12H21N3O.C10H16F2N2.C9H12F3NO.C9H16N2.2C9H14O.C9H14S.C8H11F3N2O.C8H10FN.C8H15N3.2C8H14N2.C8H13NO.C8H13NS.C8H11N.C7H10F2N2O.C7H11NO2.C7H11NO/c1-11(2)13-8-14-15(10-13)9-12-6-4-3-5-7-12;1-11(2)12-9-13-15(10-12)4-3-14-5-7-16-8-6-14;1-9(2,3)8-5-13-14(6-8)7-10(4,11)12;1-8(2,3)7-4-6(13-14-7)5-9(10,11)12;1-7(2)9-5-10-11(6-9)8(3)4;1-7-5-8(10-6-7)9(2,3)4;1-7-5-6-8(10-7)9(2,3)4;1-7-5-8(10-6-7)9(2,3)4;1-7(2,3)6-12-5(13-14-6)4-8(9,10)11;1-6(2)7-3-4-10-8(9)5-7;1-6(2)8-9-5-11(10-8)7(3)4;1-6(2)8-5-10(4)9-7(8)3;1-6(2)8-7(3)5-10(4)9-8;1-6-5-10-7(9-6)8(2,3)4;1-6-9-5-7(10-6)8(2,3)4;1-7(2)8-4-3-5-9-6-8;1-7(2,3)6-10-5(4(8)9)11-12-6;1-5(2)7-3-6(4-9)8-10-7;1-5(2)7-8-4-6(3)9-7/h3-8,10-11H,9H2,1-2H3;9-11H,3-8H2,1-2H3;5-6H,7H2,1-4H3;4H,5H2,1-3H3;5-8H,1-4H3;3*5-6H,1-4H3;4H2,1-3H3;3-6H,1-2H3;5-7H,1-4H3;2*5-6H,1-4H3;2*5H,1-4H3;3-7H,1-2H3;4H,1-3H3;3,5,9H,4H2,1-2H3;4-5H,1-3H3 |
| InChIKey | ABZZFGYJHWYQDW-UHFFFAOYSA-N |
| XLogP | 45.46 |
| TPSA | 417.24 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 39 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 215 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3051.15 |
| LogP ≤ 5 | 45.46 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 39 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of 1-benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(difluoromethyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-4-methylthiophene;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2-oxazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-1,2,4-triazole;2-fluoro-4-propan-2-ylpyridine;5-methyl-2-propan-2-yl-1,3-oxazole;(5-propan-2-yl-1,2-oxazol-3-yl)methanol;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-propan-2-ylpyridine?
The IUPAC name of 1-benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(difluoromethyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-4-methylthiophene;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2-oxazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-1,2,4-triazole;2-fluoro-4-propan-2-ylpyridine;5-methyl-2-propan-2-yl-1,3-oxazole;(5-propan-2-yl-1,2-oxazol-3-yl)methanol;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-propan-2-ylpyridine (CID 157067177) is 1-benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(difluoromethyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-4-methylthiophene;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2-oxazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-1,2,4-triazole;2-fluoro-4-propan-2-ylpyridine;5-methyl-2-propan-2-yl-1,3-oxazole;(5-propan-2-yl-1,2-oxazol-3-yl)methanol;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-propan-2-ylpyridine.
What is the SMILES notation for 1-benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(difluoromethyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-4-methylthiophene;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2-oxazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-1,2,4-triazole;2-fluoro-4-propan-2-ylpyridine;5-methyl-2-propan-2-yl-1,3-oxazole;(5-propan-2-yl-1,2-oxazol-3-yl)methanol;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-propan-2-ylpyridine?
The canonical SMILES for 1-benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(difluoromethyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-4-methylthiophene;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2-oxazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-1,2,4-triazole;2-fluoro-4-propan-2-ylpyridine;5-methyl-2-propan-2-yl-1,3-oxazole;(5-propan-2-yl-1,2-oxazol-3-yl)methanol;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-propan-2-ylpyridine is CC(C)(C)c1cc(CC(F)(F)F)no1.CC(C)(C)c1nc(C(F)F)no1.CC(C)(C)c1nc(CC(F)(F)F)no1.CC(C)c1cc(CO)no1.CC(C)c1cccnc1.CC(C)c1ccnc(F)c1.CC(C)c1cnn(C(C)C)c1.CC(C)c1cnn(CCN2CCOCC2)c1.CC(C)c1cnn(Cc2ccccc2)c1.CC(C)c1ncn(C(C)C)n1.CC(F)(F)Cn1cc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)o1.Cc1cn(C)nc1C(C)C.Cc1cnc(C(C)C)o1.Cc1coc(C(C)(C)C)c1.Cc1coc(C(C)(C)C)n1.Cc1csc(C(C)(C)C)c1.Cc1ncc(C(C)(C)C)s1.Cc1nn(C)cc1C(C)C.
What is the InChIKey of 1-benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(difluoromethyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-4-methylthiophene;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2-oxazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-1,2,4-triazole;2-fluoro-4-propan-2-ylpyridine;5-methyl-2-propan-2-yl-1,3-oxazole;(5-propan-2-yl-1,2-oxazol-3-yl)methanol;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-propan-2-ylpyridine?
The InChIKey is ABZZFGYJHWYQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2.C12H21N3O.C10H16F2N2.C9H12F3NO.C9H16N2.2C9H14O.C9H14S.C8H11F3N2O.C8H10FN.C8H15N3.2C8H14N2.C8H13NO.C8H13NS.C8H11N.C7H10F2N2O.C7H11NO2.C7H11NO/c1-11(2)13-8-14-15(10-13)9-12-6-4-3-5-7-12;1-11(2)12-9-13-15(10-12)4-3-14-5-7-16-8-6-14;1-9(2,3)8-5-13-14(6-8)7-10(4,11)12;1-8(2,3)7-4-6(13-14-7)5-9(10,11)12;1-7(2)9-5-10-11(6-9)8(3)4;1-7-5-8(10-6-7)9(2,3)4;1-7-5-6-8(10-7)9(2,3)4;1-7-5-8(10-6-7)9(2,3)4;1-7(2,3)6-12-5(13-14-6)4-8(9,10)11;1-6(2)7-3-4-10-8(9)5-7;1-6(2)8-9-5-11(10-8)7(3)4;1-6(2)8-5-10(4)9-7(8)3;1-6(2)8-7(3)5-10(4)9-8;1-6-5-10-7(9-6)8(2,3)4;1-6-9-5-7(10-6)8(2,3)4;1-7(2)8-4-3-5-9-6-8;1-7(2,3)6-10-5(4(8)9)11-12-6;1-5(2)7-3-6(4-9)8-10-7;1-5(2)7-8-4-6(3)9-7/h3-8,10-11H,9H2,1-2H3;9-11H,3-8H2,1-2H3;5-6H,7H2,1-4H3;4H,5H2,1-3H3;5-8H,1-4H3;3*5-6H,1-4H3;4H2,1-3H3;3-6H,1-2H3;5-7H,1-4H3;2*5-6H,1-4H3;2*5H,1-4H3;3-7H,1-2H3;4H,1-3H3;3,5,9H,4H2,1-2H3;4-5H,1-3H3.
What are the key properties of 1-benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(difluoromethyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-4-methylthiophene;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2-oxazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-1,2,4-triazole;2-fluoro-4-propan-2-ylpyridine;5-methyl-2-propan-2-yl-1,3-oxazole;(5-propan-2-yl-1,2-oxazol-3-yl)methanol;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-propan-2-ylpyridine?
1-benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(difluoromethyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-4-methylthiophene;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2-oxazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-1,2,4-triazole;2-fluoro-4-propan-2-ylpyridine;5-methyl-2-propan-2-yl-1,3-oxazole;(5-propan-2-yl-1,2-oxazol-3-yl)methanol;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-propan-2-ylpyridine has a molecular weight of 3051.15 g/mol, XLogP of 45.46, 23 rotatable bonds, 1 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(difluoromethyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-4-methylthiophene;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2-oxazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-1,2,4-triazole;2-fluoro-4-propan-2-ylpyridine;5-methyl-2-propan-2-yl-1,3-oxazole;(5-propan-2-yl-1,2-oxazol-3-yl)methanol;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-propan-2-ylpyridine is sourced from PubChem (CID 157067177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 157067177 — identifiers, structure, computed properties (public domain)
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