2-[4-(4-cyclohexyl-3-methyl-1,2-oxazol-5-yl)phenyl]-1,1,1-trifluoropropan-2-ol;1-[4-(5-cyclohexyl-2-methyl-1,3-thiazol-4-yl)phenyl]ethanone;2-[4-(5-cyclohexyl-2-methyl-1,3-thiazol-4-yl)phenyl]-1,1,1-trifluoropropan-2-ol;1-[4-(4-cyclohexyl-1,2-oxazol-5-yl)phenyl]ethanone;2-[4-(4-cyclohexyl-1,2-oxazol-3-yl)phenyl]propan-2-ol;2-[4-(4-cyclohexyl-1,2-oxazol-5-yl)phenyl]propan-2-ol;2-[4-(4-cyclohexyl-1,2-oxazol-5-yl)phenyl]-1,1,1-trifluoropropan-2-ol;2-[4-(4-cyclohexyl-1H-pyrazol-5-yl)phenyl]propan-2-ol;methane
C153H206F9N9O13S2 — CID 158966831
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC2-[4-(4-cyclohexyl-3-methyl-1,2-oxazol-5-yl)phenyl]-1,1,1-trifluoropropan-2-ol;1-[4-(5-cyclohexyl-2-methyl-1,3-thiazol-4-yl)phenyl]ethanone;2-[4-(5-cyclohexyl-2-methyl-1,3-thiazol-4-yl)phenyl]-1,1,1-trifluoropropan-2-ol;1-[4-(4-cyclohexyl-1,2-oxazol-5-yl)phenyl]ethanone;2-[4-(4-cyclohexyl-1,2-oxazol-3-yl)phenyl]propan-2-ol;2-[4-(4-cyclohexyl-1,2-oxazol-5-yl)phenyl]propan-2-ol;2-[4-(4-cyclohexyl-1,2-oxazol-5-yl)phenyl]-1,1,1-trifluoropropan-2-ol;2-[4-(4-cyclohexyl-1H-pyrazol-5-yl)phenyl]propan-2-ol;methane
SMILESC.C.C.C.C.C.C.C.CC(=O)c1ccc(-c2nc(C)sc2C2CCCCC2)cc1.CC(=O)c1ccc(-c2oncc2C2CCCCC2)cc1.CC(C)(O)c1ccc(-c2[nH]ncc2C2CCCCC2)cc1.CC(C)(O)c1ccc(-c2nocc2C2CCCCC2)cc1.CC(C)(O)c1ccc(-c2oncc2C2CCCCC2)cc1.CC(O)(c1ccc(-c2oncc2C2CCCCC2)cc1)C(F)(F)F.Cc1nc(-c2ccc(C(C)(O)C(F)(F)F)cc2)c(C2CCCCC2)s1.Cc1noc(-c2ccc(C(C)(O)C(F)(F)F)cc2)c1C1CCCCC1
InChIInChI=1S/C19H22F3NO2.C19H22F3NOS.C18H20F3NO2.C18H24N2O.2C18H23NO2.C18H21NOS.C17H19NO2.8CH4/c1-12-16(13-6-4-3-5-7-13)17(25-23-12)14-8-10-15(11-9-14)18(2,24)19(20,21)22;1-12-23-16(17(25-12)14-6-4-3-5-7-14)13-8-10-15(11-9-13)18(2,24)19(20,21)22;1-17(23,18(19,20)21)14-9-7-13(8-10-14)16-15(11-22-24-16)12-5-3-2-4-6-12;1-18(2,21)15-10-8-14(9-11-15)17-16(12-19-20-17)13-6-4-3-5-7-13;1-18(2,20)15-10-8-14(9-11-15)17-16(12-21-19-17)13-6-4-3-5-7-13;1-18(2,20)15-10-8-14(9-11-15)17-16(12-19-21-17)13-6-4-3-5-7-13;1-12(20)14-8-10-15(11-9-14)17-18(21-13(2)19-17)16-6-4-3-5-7-16;1-12(19)13-7-9-15(10-8-13)17-16(11-18-20-17)14-5-3-2-4-6-14;;;;;;;;/h8-11,13,24H,3-7H2,1-2H3;8-11,14,24H,3-7H2,1-2H3;7-12,23H,2-6H2,1H3;8-13,21H,3-7H2,1-2H3,(H,19,20);2*8-13,20H,3-7H2,1-2H3;8-11,16H,3-7H2,1-2H3;7-11,14H,2-6H2,1H3;8*1H4
InChIKeyJNHRXBAASKVOPN-UHFFFAOYSA-N
MW2614.50 g/mol
LogP45.20
Rot. Bonds24
About 2-[4-(4-cyclohexyl-3-methyl-1,2-oxazol-5-yl)phenyl]-1,1,1-trifluoropropan-2-ol;1-[4-(5-cyclohexyl-2-methyl-1,3-thiazol-4-yl)phenyl]ethanone;2-[4-(5-cyclohexyl-2-methyl-1,3-thiazol-4-yl)phenyl]-1,1,1-trifluoropropan-2-ol;1-[4-(4-cyclohexyl-1,2-oxazol-5-yl)phenyl]ethanone;2-[4-(4-cyclohexyl-1,2-oxazol-3-yl)phenyl]propan-2-ol;2-[4-(4-cyclohexyl-1,2-oxazol-5-yl)phenyl]propan-2-ol;2-[4-(4-cyclohexyl-1,2-oxazol-5-yl)phenyl]-1,1,1-trifluoropropan-2-ol;2-[4-(4-cyclohexyl-1H-pyrazol-5-yl)phenyl]propan-2-ol;methane
2-[4-(4-cyclohexyl-3-methyl-1,2-oxazol-5-yl)phenyl]-1,1,1-trifluoropropan-2-ol;1-[4-(5-cyclohexyl-2-methyl-1,3-thiazol-4-yl)phenyl]ethanone;2-[4-(5-cyclohexyl-2-methyl-1,3-thiazol-4-yl)phenyl]-1,1,1-trifluoropropan-2-ol;1-[4-(4-cyclohexyl-1,2-oxazol-5-yl)phenyl]ethanone;2-[4-(4-cyclohexyl-1,2-oxazol-3-yl)phenyl]propan-2-ol;2-[4-(4-cyclohexyl-1,2-oxazol-5-yl)phenyl]propan-2-ol;2-[4-(4-cyclohexyl-1,2-oxazol-5-yl)phenyl]-1,1,1-trifluoropropan-2-ol;2-[4-(4-cyclohexyl-1H-pyrazol-5-yl)phenyl]propan-2-ol;methane (PubChem CID 158966831) has the molecular formula C153H206F9N9O13S2 and a molecular weight of 2614.50 g/mol. Its IUPAC name is 2-[4-(4-cyclohexyl-3-methyl-1,2-oxazol-5-yl)phenyl]-1,1,1-trifluoropropan-2-ol;1-[4-(5-cyclohexyl-2-methyl-1,3-thiazol-4-yl)phenyl]ethanone;2-[4-(5-cyclohexyl-2-methyl-1,3-thiazol-4-yl)phenyl]-1,1,1-trifluoropropan-2-ol;1-[4-(4-cyclohexyl-1,2-oxazol-5-yl)phenyl]ethanone;2-[4-(4-cyclohexyl-1,2-oxazol-3-yl)phenyl]propan-2-ol;2-[4-(4-cyclohexyl-1,2-oxazol-5-yl)phenyl]propan-2-ol;2-[4-(4-cyclohexyl-1,2-oxazol-5-yl)phenyl]-1,1,1-trifluoropropan-2-ol;2-[4-(4-cyclohexyl-1H-pyrazol-5-yl)phenyl]propan-2-ol;methane.
Molecular Properties
| Compound Name | 2-[4-(4-cyclohexyl-3-methyl-1,2-oxazol-5-yl)phenyl]-1,1,1-trifluoropropan-2-ol;1-[4-(5-cyclohexyl-2-methyl-1,3-thiazol-4-yl)phenyl]ethanone;2-[4-(5-cyclohexyl-2-methyl-1,3-thiazol-4-yl)phenyl]-1,1,1-trifluoropropan-2-ol;1-[4-(4-cyclohexyl-1,2-oxazol-5-yl)phenyl]ethanone;2-[4-(4-cyclohexyl-1,2-oxazol-3-yl)phenyl]propan-2-ol;2-[4-(4-cyclohexyl-1,2-oxazol-5-yl)phenyl]propan-2-ol;2-[4-(4-cyclohexyl-1,2-oxazol-5-yl)phenyl]-1,1,1-trifluoropropan-2-ol;2-[4-(4-cyclohexyl-1H-pyrazol-5-yl)phenyl]propan-2-ol;methane |
|---|---|
| PubChem CID | 158966831 |
| Molecular Formula | C153H206F9N9O13S2 |
| Molecular Weight | 2614.50 g/mol |
| Exact Mass | 2612.50 |
| IUPAC Name | 2-[4-(4-cyclohexyl-3-methyl-1,2-oxazol-5-yl)phenyl]-1,1,1-trifluoropropan-2-ol;1-[4-(5-cyclohexyl-2-methyl-1,3-thiazol-4-yl)phenyl]ethanone;2-[4-(5-cyclohexyl-2-methyl-1,3-thiazol-4-yl)phenyl]-1,1,1-trifluoropropan-2-ol;1-[4-(4-cyclohexyl-1,2-oxazol-5-yl)phenyl]ethanone;2-[4-(4-cyclohexyl-1,2-oxazol-3-yl)phenyl]propan-2-ol;2-[4-(4-cyclohexyl-1,2-oxazol-5-yl)phenyl]propan-2-ol;2-[4-(4-cyclohexyl-1,2-oxazol-5-yl)phenyl]-1,1,1-trifluoropropan-2-ol;2-[4-(4-cyclohexyl-1H-pyrazol-5-yl)phenyl]propan-2-ol;methane |
| SMILES | C.C.C.C.C.C.C.C.CC(=O)c1ccc(-c2nc(C)sc2C2CCCCC2)cc1.CC(=O)c1ccc(-c2oncc2C2CCCCC2)cc1.CC(C)(O)c1ccc(-c2[nH]ncc2C2CCCCC2)cc1.CC(C)(O)c1ccc(-c2nocc2C2CCCCC2)cc1.CC(C)(O)c1ccc(-c2oncc2C2CCCCC2)cc1.CC(O)(c1ccc(-c2oncc2C2CCCCC2)cc1)C(F)(F)F.Cc1nc(-c2ccc(C(C)(O)C(F)(F)F)cc2)c(C2CCCCC2)s1.Cc1noc(-c2ccc(C(C)(O)C(F)(F)F)cc2)c1C1CCCCC1 |
| InChI | InChI=1S/C19H22F3NO2.C19H22F3NOS.C18H20F3NO2.C18H24N2O.2C18H23NO2.C18H21NOS.C17H19NO2.8CH4/c1-12-16(13-6-4-3-5-7-13)17(25-23-12)14-8-10-15(11-9-14)18(2,24)19(20,21)22;1-12-23-16(17(25-12)14-6-4-3-5-7-14)13-8-10-15(11-9-13)18(2,24)19(20,21)22;1-17(23,18(19,20)21)14-9-7-13(8-10-14)16-15(11-22-24-16)12-5-3-2-4-6-12;1-18(2,21)15-10-8-14(9-11-15)17-16(12-19-20-17)13-6-4-3-5-7-13;1-18(2,20)15-10-8-14(9-11-15)17-16(12-21-19-17)13-6-4-3-5-7-13;1-18(2,20)15-10-8-14(9-11-15)17-16(12-19-21-17)13-6-4-3-5-7-13;1-12(20)14-8-10-15(11-9-14)17-18(21-13(2)19-17)16-6-4-3-5-7-16;1-12(19)13-7-9-15(10-8-13)17-16(11-18-20-17)14-5-3-2-4-6-14;;;;;;;;/h8-11,13,24H,3-7H2,1-2H3;8-11,14,24H,3-7H2,1-2H3;7-12,23H,2-6H2,1H3;8-13,21H,3-7H2,1-2H3,(H,19,20);2*8-13,20H,3-7H2,1-2H3;8-11,16H,3-7H2,1-2H3;7-11,14H,2-6H2,1H3;8*1H4 |
| InChIKey | JNHRXBAASKVOPN-UHFFFAOYSA-N |
| XLogP | 45.20 |
| TPSA | 340.13 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 186 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2614.50 |
| LogP ≤ 5 | 45.20 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 23 |
Frequently Asked Questions
What is the IUPAC name of 2-[4-(4-cyclohexyl-3-methyl-1,2-oxazol-5-yl)phenyl]-1,1,1-trifluoropropan-2-ol;1-[4-(5-cyclohexyl-2-methyl-1,3-thiazol-4-yl)phenyl]ethanone;2-[4-(5-cyclohexyl-2-methyl-1,3-thiazol-4-yl)phenyl]-1,1,1-trifluoropropan-2-ol;1-[4-(4-cyclohexyl-1,2-oxazol-5-yl)phenyl]ethanone;2-[4-(4-cyclohexyl-1,2-oxazol-3-yl)phenyl]propan-2-ol;2-[4-(4-cyclohexyl-1,2-oxazol-5-yl)phenyl]propan-2-ol;2-[4-(4-cyclohexyl-1,2-oxazol-5-yl)phenyl]-1,1,1-trifluoropropan-2-ol;2-[4-(4-cyclohexyl-1H-pyrazol-5-yl)phenyl]propan-2-ol;methane?
The IUPAC name of 2-[4-(4-cyclohexyl-3-methyl-1,2-oxazol-5-yl)phenyl]-1,1,1-trifluoropropan-2-ol;1-[4-(5-cyclohexyl-2-methyl-1,3-thiazol-4-yl)phenyl]ethanone;2-[4-(5-cyclohexyl-2-methyl-1,3-thiazol-4-yl)phenyl]-1,1,1-trifluoropropan-2-ol;1-[4-(4-cyclohexyl-1,2-oxazol-5-yl)phenyl]ethanone;2-[4-(4-cyclohexyl-1,2-oxazol-3-yl)phenyl]propan-2-ol;2-[4-(4-cyclohexyl-1,2-oxazol-5-yl)phenyl]propan-2-ol;2-[4-(4-cyclohexyl-1,2-oxazol-5-yl)phenyl]-1,1,1-trifluoropropan-2-ol;2-[4-(4-cyclohexyl-1H-pyrazol-5-yl)phenyl]propan-2-ol;methane (CID 158966831) is 2-[4-(4-cyclohexyl-3-methyl-1,2-oxazol-5-yl)phenyl]-1,1,1-trifluoropropan-2-ol;1-[4-(5-cyclohexyl-2-methyl-1,3-thiazol-4-yl)phenyl]ethanone;2-[4-(5-cyclohexyl-2-methyl-1,3-thiazol-4-yl)phenyl]-1,1,1-trifluoropropan-2-ol;1-[4-(4-cyclohexyl-1,2-oxazol-5-yl)phenyl]ethanone;2-[4-(4-cyclohexyl-1,2-oxazol-3-yl)phenyl]propan-2-ol;2-[4-(4-cyclohexyl-1,2-oxazol-5-yl)phenyl]propan-2-ol;2-[4-(4-cyclohexyl-1,2-oxazol-5-yl)phenyl]-1,1,1-trifluoropropan-2-ol;2-[4-(4-cyclohexyl-1H-pyrazol-5-yl)phenyl]propan-2-ol;methane.
What is the SMILES notation for 2-[4-(4-cyclohexyl-3-methyl-1,2-oxazol-5-yl)phenyl]-1,1,1-trifluoropropan-2-ol;1-[4-(5-cyclohexyl-2-methyl-1,3-thiazol-4-yl)phenyl]ethanone;2-[4-(5-cyclohexyl-2-methyl-1,3-thiazol-4-yl)phenyl]-1,1,1-trifluoropropan-2-ol;1-[4-(4-cyclohexyl-1,2-oxazol-5-yl)phenyl]ethanone;2-[4-(4-cyclohexyl-1,2-oxazol-3-yl)phenyl]propan-2-ol;2-[4-(4-cyclohexyl-1,2-oxazol-5-yl)phenyl]propan-2-ol;2-[4-(4-cyclohexyl-1,2-oxazol-5-yl)phenyl]-1,1,1-trifluoropropan-2-ol;2-[4-(4-cyclohexyl-1H-pyrazol-5-yl)phenyl]propan-2-ol;methane?
The canonical SMILES for 2-[4-(4-cyclohexyl-3-methyl-1,2-oxazol-5-yl)phenyl]-1,1,1-trifluoropropan-2-ol;1-[4-(5-cyclohexyl-2-methyl-1,3-thiazol-4-yl)phenyl]ethanone;2-[4-(5-cyclohexyl-2-methyl-1,3-thiazol-4-yl)phenyl]-1,1,1-trifluoropropan-2-ol;1-[4-(4-cyclohexyl-1,2-oxazol-5-yl)phenyl]ethanone;2-[4-(4-cyclohexyl-1,2-oxazol-3-yl)phenyl]propan-2-ol;2-[4-(4-cyclohexyl-1,2-oxazol-5-yl)phenyl]propan-2-ol;2-[4-(4-cyclohexyl-1,2-oxazol-5-yl)phenyl]-1,1,1-trifluoropropan-2-ol;2-[4-(4-cyclohexyl-1H-pyrazol-5-yl)phenyl]propan-2-ol;methane is C.C.C.C.C.C.C.C.CC(=O)c1ccc(-c2nc(C)sc2C2CCCCC2)cc1.CC(=O)c1ccc(-c2oncc2C2CCCCC2)cc1.CC(C)(O)c1ccc(-c2[nH]ncc2C2CCCCC2)cc1.CC(C)(O)c1ccc(-c2nocc2C2CCCCC2)cc1.CC(C)(O)c1ccc(-c2oncc2C2CCCCC2)cc1.CC(O)(c1ccc(-c2oncc2C2CCCCC2)cc1)C(F)(F)F.Cc1nc(-c2ccc(C(C)(O)C(F)(F)F)cc2)c(C2CCCCC2)s1.Cc1noc(-c2ccc(C(C)(O)C(F)(F)F)cc2)c1C1CCCCC1.
What is the InChIKey of 2-[4-(4-cyclohexyl-3-methyl-1,2-oxazol-5-yl)phenyl]-1,1,1-trifluoropropan-2-ol;1-[4-(5-cyclohexyl-2-methyl-1,3-thiazol-4-yl)phenyl]ethanone;2-[4-(5-cyclohexyl-2-methyl-1,3-thiazol-4-yl)phenyl]-1,1,1-trifluoropropan-2-ol;1-[4-(4-cyclohexyl-1,2-oxazol-5-yl)phenyl]ethanone;2-[4-(4-cyclohexyl-1,2-oxazol-3-yl)phenyl]propan-2-ol;2-[4-(4-cyclohexyl-1,2-oxazol-5-yl)phenyl]propan-2-ol;2-[4-(4-cyclohexyl-1,2-oxazol-5-yl)phenyl]-1,1,1-trifluoropropan-2-ol;2-[4-(4-cyclohexyl-1H-pyrazol-5-yl)phenyl]propan-2-ol;methane?
The InChIKey is JNHRXBAASKVOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3NO2.C19H22F3NOS.C18H20F3NO2.C18H24N2O.2C18H23NO2.C18H21NOS.C17H19NO2.8CH4/c1-12-16(13-6-4-3-5-7-13)17(25-23-12)14-8-10-15(11-9-14)18(2,24)19(20,21)22;1-12-23-16(17(25-12)14-6-4-3-5-7-14)13-8-10-15(11-9-13)18(2,24)19(20,21)22;1-17(23,18(19,20)21)14-9-7-13(8-10-14)16-15(11-22-24-16)12-5-3-2-4-6-12;1-18(2,21)15-10-8-14(9-11-15)17-16(12-19-20-17)13-6-4-3-5-7-13;1-18(2,20)15-10-8-14(9-11-15)17-16(12-21-19-17)13-6-4-3-5-7-13;1-18(2,20)15-10-8-14(9-11-15)17-16(12-19-21-17)13-6-4-3-5-7-13;1-12(20)14-8-10-15(11-9-14)17-18(21-13(2)19-17)16-6-4-3-5-7-16;1-12(19)13-7-9-15(10-8-13)17-16(11-18-20-17)14-5-3-2-4-6-14;;;;;;;;/h8-11,13,24H,3-7H2,1-2H3;8-11,14,24H,3-7H2,1-2H3;7-12,23H,2-6H2,1H3;8-13,21H,3-7H2,1-2H3,(H,19,20);2*8-13,20H,3-7H2,1-2H3;8-11,16H,3-7H2,1-2H3;7-11,14H,2-6H2,1H3;8*1H4.
What are the key properties of 2-[4-(4-cyclohexyl-3-methyl-1,2-oxazol-5-yl)phenyl]-1,1,1-trifluoropropan-2-ol;1-[4-(5-cyclohexyl-2-methyl-1,3-thiazol-4-yl)phenyl]ethanone;2-[4-(5-cyclohexyl-2-methyl-1,3-thiazol-4-yl)phenyl]-1,1,1-trifluoropropan-2-ol;1-[4-(4-cyclohexyl-1,2-oxazol-5-yl)phenyl]ethanone;2-[4-(4-cyclohexyl-1,2-oxazol-3-yl)phenyl]propan-2-ol;2-[4-(4-cyclohexyl-1,2-oxazol-5-yl)phenyl]propan-2-ol;2-[4-(4-cyclohexyl-1,2-oxazol-5-yl)phenyl]-1,1,1-trifluoropropan-2-ol;2-[4-(4-cyclohexyl-1H-pyrazol-5-yl)phenyl]propan-2-ol;methane?
2-[4-(4-cyclohexyl-3-methyl-1,2-oxazol-5-yl)phenyl]-1,1,1-trifluoropropan-2-ol;1-[4-(5-cyclohexyl-2-methyl-1,3-thiazol-4-yl)phenyl]ethanone;2-[4-(5-cyclohexyl-2-methyl-1,3-thiazol-4-yl)phenyl]-1,1,1-trifluoropropan-2-ol;1-[4-(4-cyclohexyl-1,2-oxazol-5-yl)phenyl]ethanone;2-[4-(4-cyclohexyl-1,2-oxazol-3-yl)phenyl]propan-2-ol;2-[4-(4-cyclohexyl-1,2-oxazol-5-yl)phenyl]propan-2-ol;2-[4-(4-cyclohexyl-1,2-oxazol-5-yl)phenyl]-1,1,1-trifluoropropan-2-ol;2-[4-(4-cyclohexyl-1H-pyrazol-5-yl)phenyl]propan-2-ol;methane has a molecular weight of 2614.50 g/mol, XLogP of 45.20, 24 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-cyclohexyl-3-methyl-1,2-oxazol-5-yl)phenyl]-1,1,1-trifluoropropan-2-ol;1-[4-(5-cyclohexyl-2-methyl-1,3-thiazol-4-yl)phenyl]ethanone;2-[4-(5-cyclohexyl-2-methyl-1,3-thiazol-4-yl)phenyl]-1,1,1-trifluoropropan-2-ol;1-[4-(4-cyclohexyl-1,2-oxazol-5-yl)phenyl]ethanone;2-[4-(4-cyclohexyl-1,2-oxazol-3-yl)phenyl]propan-2-ol;2-[4-(4-cyclohexyl-1,2-oxazol-5-yl)phenyl]propan-2-ol;2-[4-(4-cyclohexyl-1,2-oxazol-5-yl)phenyl]-1,1,1-trifluoropropan-2-ol;2-[4-(4-cyclohexyl-1H-pyrazol-5-yl)phenyl]propan-2-ol;methane is sourced from PubChem (CID 158966831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158966831 — identifiers, structure, computed properties (public domain)
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