2,2-difluoro-5-(2-methylpropyl)-1,3-benzodioxole;2-methyl-5-(2-methylpropyl)-1,3-benzothiazole;2-methyl-5-(2-methylpropyl)-1,3-benzoxazole;2-methyl-6-(2-methylpropyl)-1,3-benzoxazole;3-methyl-5-(2-methylpropyl)-1,2-benzoxazole;3-methyl-6-(2-methylpropyl)-1,2-benzoxazole;3-methyl-5-(2-methylpropyl)-1,3-benzoxazol-2-one;5-(2-methylpropyl)-2,1,3-benzothiadiazole;5-(2-methylpropyl)-2,1,3-benzoxadiazole;5-(2-methylpropyl)-1,3-benzoxazole;6-(2-methylpropyl)-1,3-benzoxazole;5-(2-methylpropyl)-2,3-dihydro-1H-indene;1-[7-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;5-(2-methylpropyl)-1H-indazole
C164H205F2N15O12S2 — CID 158801763
Data last refreshed: (MolForge compound catalog, from PubChem)
About 2,2-difluoro-5-(2-methylpropyl)-1,3-benzodioxole;2-methyl-5-(2-methylpropyl)-1,3-benzothiazole;2-methyl-5-(2-methylpropyl)-1,3-benzoxazole;2-methyl-6-(2-methylpropyl)-1,3-benzoxazole;3-methyl-5-(2-methylpropyl)-1,2-benzoxazole;3-methyl-6-(2-methylpropyl)-1,2-benzoxazole;3-methyl-5-(2-methylpropyl)-1,3-benzoxazol-2-one;5-(2-methylpropyl)-2,1,3-benzothiadiazole;5-(2-methylpropyl)-2,1,3-benzoxadiazole;5-(2-methylpropyl)-1,3-benzoxazole;6-(2-methylpropyl)-1,3-benzoxazole;5-(2-methylpropyl)-2,3-dihydro-1H-indene;1-[7-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;5-(2-methylpropyl)-1H-indazole
2,2-difluoro-5-(2-methylpropyl)-1,3-benzodioxole;2-methyl-5-(2-methylpropyl)-1,3-benzothiazole;2-methyl-5-(2-methylpropyl)-1,3-benzoxazole;2-methyl-6-(2-methylpropyl)-1,3-benzoxazole;3-methyl-5-(2-methylpropyl)-1,2-benzoxazole;3-methyl-6-(2-methylpropyl)-1,2-benzoxazole;3-methyl-5-(2-methylpropyl)-1,3-benzoxazol-2-one;5-(2-methylpropyl)-2,1,3-benzothiadiazole;5-(2-methylpropyl)-2,1,3-benzoxadiazole;5-(2-methylpropyl)-1,3-benzoxazole;6-(2-methylpropyl)-1,3-benzoxazole;5-(2-methylpropyl)-2,3-dihydro-1H-indene;1-[7-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;5-(2-methylpropyl)-1H-indazole (PubChem CID 158801763) has the molecular formula C164H205F2N15O12S2 and a molecular weight of 2680.67 g/mol. Its IUPAC name is 2,2-difluoro-5-(2-methylpropyl)-1,3-benzodioxole;2-methyl-5-(2-methylpropyl)-1,3-benzothiazole;2-methyl-5-(2-methylpropyl)-1,3-benzoxazole;2-methyl-6-(2-methylpropyl)-1,3-benzoxazole;3-methyl-5-(2-methylpropyl)-1,2-benzoxazole;3-methyl-6-(2-methylpropyl)-1,2-benzoxazole;3-methyl-5-(2-methylpropyl)-1,3-benzoxazol-2-one;5-(2-methylpropyl)-2,1,3-benzothiadiazole;5-(2-methylpropyl)-2,1,3-benzoxadiazole;5-(2-methylpropyl)-1,3-benzoxazole;6-(2-methylpropyl)-1,3-benzoxazole;5-(2-methylpropyl)-2,3-dihydro-1H-indene;1-[7-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;5-(2-methylpropyl)-1H-indazole.
Molecular Properties
| Compound Name | 2,2-difluoro-5-(2-methylpropyl)-1,3-benzodioxole;2-methyl-5-(2-methylpropyl)-1,3-benzothiazole;2-methyl-5-(2-methylpropyl)-1,3-benzoxazole;2-methyl-6-(2-methylpropyl)-1,3-benzoxazole;3-methyl-5-(2-methylpropyl)-1,2-benzoxazole;3-methyl-6-(2-methylpropyl)-1,2-benzoxazole;3-methyl-5-(2-methylpropyl)-1,3-benzoxazol-2-one;5-(2-methylpropyl)-2,1,3-benzothiadiazole;5-(2-methylpropyl)-2,1,3-benzoxadiazole;5-(2-methylpropyl)-1,3-benzoxazole;6-(2-methylpropyl)-1,3-benzoxazole;5-(2-methylpropyl)-2,3-dihydro-1H-indene;1-[7-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;5-(2-methylpropyl)-1H-indazole |
|---|---|
| PubChem CID | 158801763 |
| Molecular Formula | C164H205F2N15O12S2 |
| Molecular Weight | 2680.67 g/mol |
| Exact Mass | 2678.53 |
| IUPAC Name | 2,2-difluoro-5-(2-methylpropyl)-1,3-benzodioxole;2-methyl-5-(2-methylpropyl)-1,3-benzothiazole;2-methyl-5-(2-methylpropyl)-1,3-benzoxazole;2-methyl-6-(2-methylpropyl)-1,3-benzoxazole;3-methyl-5-(2-methylpropyl)-1,2-benzoxazole;3-methyl-6-(2-methylpropyl)-1,2-benzoxazole;3-methyl-5-(2-methylpropyl)-1,3-benzoxazol-2-one;5-(2-methylpropyl)-2,1,3-benzothiadiazole;5-(2-methylpropyl)-2,1,3-benzoxadiazole;5-(2-methylpropyl)-1,3-benzoxazole;6-(2-methylpropyl)-1,3-benzoxazole;5-(2-methylpropyl)-2,3-dihydro-1H-indene;1-[7-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;5-(2-methylpropyl)-1H-indazole |
| SMILES | CC(=O)N1CCc2ccc(CC(C)C)cc2C1.CC(C)Cc1ccc2[nH]ncc2c1.CC(C)Cc1ccc2c(c1)CCC2.CC(C)Cc1ccc2c(c1)OC(F)(F)O2.CC(C)Cc1ccc2ncoc2c1.CC(C)Cc1ccc2nonc2c1.CC(C)Cc1ccc2nsnc2c1.CC(C)Cc1ccc2oc(=O)n(C)c2c1.CC(C)Cc1ccc2ocnc2c1.Cc1nc2cc(CC(C)C)ccc2o1.Cc1nc2cc(CC(C)C)ccc2s1.Cc1nc2ccc(CC(C)C)cc2o1.Cc1noc2cc(CC(C)C)ccc12.Cc1noc2ccc(CC(C)C)cc12 |
| InChI | InChI=1S/C15H21NO.C13H18.C12H15NO2.4C12H15NO.C12H15NS.C11H12F2O2.C11H14N2.2C11H13NO.C10H12N2O.C10H12N2S/c1-11(2)8-13-4-5-14-6-7-16(12(3)17)10-15(14)9-13;1-10(2)8-11-6-7-12-4-3-5-13(12)9-11;1-8(2)6-9-4-5-11-10(7-9)13(3)12(14)15-11;1-8(2)6-10-4-5-12-11(7-10)13-9(3)14-12;1-8(2)6-10-4-5-12-11(7-10)9(3)13-14-12;1-8(2)6-10-4-5-11-12(7-10)14-9(3)13-11;1-8(2)6-10-4-5-11-9(3)13-14-12(11)7-10;1-8(2)6-10-4-5-12-11(7-10)13-9(3)14-12;1-7(2)5-8-3-4-9-10(6-8)15-11(12,13)14-9;1-8(2)5-9-3-4-11-10(6-9)7-12-13-11;1-8(2)5-9-3-4-11-10(6-9)12-7-13-11;1-8(2)5-9-3-4-10-11(6-9)13-7-12-10;2*1-7(2)5-8-3-4-9-10(6-8)12-13-11-9/h4-5,9,11H,6-8,10H2,1-3H3;6-7,9-10H,3-5,8H2,1-2H3;4-5,7-8H,6H2,1-3H3;5*4-5,7-8H,6H2,1-3H3;3-4,6-7H,5H2,1-2H3;3-4,6-8H,5H2,1-2H3,(H,12,13);2*3-4,6-8H,5H2,1-2H3;2*3-4,6-7H,5H2,1-2H3 |
| InChIKey | ITOOXUSWYVSKOT-UHFFFAOYSA-N |
| XLogP | 42.97 |
| TPSA | 336.36 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 195 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2680.67 |
| LogP ≤ 5 | 42.97 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 27 |
Frequently Asked Questions
Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.
Sources
- PubChem CID 158801763 — identifiers, structure, computed properties (public domain)
How this page is built: methodology · editorial policy & corrections.
For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.