3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;1-pyridin-3-yl-3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one;1-pyridin-3-yl-3-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one
C124H100F8N14O17 — CID 162262818
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;1-pyridin-3-yl-3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one;1-pyridin-3-yl-3-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one
SMILESCOc1ccc(-c2cc(CCC(=O)c3cccnc3)on2)cc1.COc1cccc(-c2cc(CCC(=O)c3cccnc3)on2)c1.COc1ccccc1-c1cc(CCC(=O)c2cccnc2)on1.O=C(CCc1cc(-c2ccc(C(F)(F)F)cc2)no1)c1cccnc1.O=C(CCc1cc(-c2ccc(F)cc2)no1)c1cccnc1.O=C(CCc1cc(-c2ccccc2C(F)(F)F)no1)c1cccnc1.O=C(CCc1cc(-c2ccccc2F)no1)c1cccnc1
InChIInChI=1S/2C18H13F3N2O2.3C18H16N2O3.2C17H13FN2O2/c19-18(20,21)14-5-3-12(4-6-14)16-10-15(25-23-16)7-8-17(24)13-2-1-9-22-11-13;19-18(20,21)15-6-2-1-5-14(15)16-10-13(25-23-16)7-8-17(24)12-4-3-9-22-11-12;1-22-15-6-2-4-13(10-15)17-11-16(23-20-17)7-8-18(21)14-5-3-9-19-12-14;1-22-15-6-4-13(5-7-15)17-11-16(23-20-17)8-9-18(21)14-3-2-10-19-12-14;1-22-18-7-3-2-6-15(18)16-11-14(23-20-16)8-9-17(21)13-5-4-10-19-12-13;18-14-5-3-12(4-6-14)16-10-15(22-20-16)7-8-17(21)13-2-1-9-19-11-13;18-15-6-2-1-5-14(15)16-10-13(22-20-16)7-8-17(21)12-4-3-9-19-11-12/h2*1-6,9-11H,7-8H2;2-6,9-12H,7-8H2,1H3;2*2-7,10-12H,8-9H2,1H3;2*1-6,9-11H,7-8H2
InChIKeyZZMFVZHZOKCWTH-UHFFFAOYSA-N
MW2210.23 g/mol
LogP27.21
Rot. Bonds38
About 3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;1-pyridin-3-yl-3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one;1-pyridin-3-yl-3-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one
3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;1-pyridin-3-yl-3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one;1-pyridin-3-yl-3-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one (PubChem CID 162262818) has the molecular formula C124H100F8N14O17 and a molecular weight of 2210.23 g/mol. Its IUPAC name is 3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;1-pyridin-3-yl-3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one;1-pyridin-3-yl-3-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one.
Molecular Properties
| Compound Name | 3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;1-pyridin-3-yl-3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one;1-pyridin-3-yl-3-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one |
|---|---|
| PubChem CID | 162262818 |
| Molecular Formula | C124H100F8N14O17 |
| Molecular Weight | 2210.23 g/mol |
| Exact Mass | 2208.73 |
| IUPAC Name | 3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;1-pyridin-3-yl-3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one;1-pyridin-3-yl-3-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one |
| SMILES | COc1ccc(-c2cc(CCC(=O)c3cccnc3)on2)cc1.COc1cccc(-c2cc(CCC(=O)c3cccnc3)on2)c1.COc1ccccc1-c1cc(CCC(=O)c2cccnc2)on1.O=C(CCc1cc(-c2ccc(C(F)(F)F)cc2)no1)c1cccnc1.O=C(CCc1cc(-c2ccc(F)cc2)no1)c1cccnc1.O=C(CCc1cc(-c2ccccc2C(F)(F)F)no1)c1cccnc1.O=C(CCc1cc(-c2ccccc2F)no1)c1cccnc1 |
| InChI | InChI=1S/2C18H13F3N2O2.3C18H16N2O3.2C17H13FN2O2/c19-18(20,21)14-5-3-12(4-6-14)16-10-15(25-23-16)7-8-17(24)13-2-1-9-22-11-13;19-18(20,21)15-6-2-1-5-14(15)16-10-13(25-23-16)7-8-17(24)12-4-3-9-22-11-12;1-22-15-6-2-4-13(10-15)17-11-16(23-20-17)7-8-18(21)14-5-3-9-19-12-14;1-22-15-6-4-13(5-7-15)17-11-16(23-20-17)8-9-18(21)14-3-2-10-19-12-14;1-22-18-7-3-2-6-15(18)16-11-14(23-20-16)8-9-17(21)13-5-4-10-19-12-13;18-14-5-3-12(4-6-14)16-10-15(22-20-16)7-8-17(21)13-2-1-9-19-11-13;18-15-6-2-1-5-14(15)16-10-13(22-20-16)7-8-17(21)12-4-3-9-19-11-12/h2*1-6,9-11H,7-8H2;2-6,9-12H,7-8H2,1H3;2*2-7,10-12H,8-9H2,1H3;2*1-6,9-11H,7-8H2 |
| InChIKey | ZZMFVZHZOKCWTH-UHFFFAOYSA-N |
| XLogP | 27.21 |
| TPSA | 419.62 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 31 |
| Rotatable Bonds | 38 |
| Heavy Atoms | 163 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2210.23 |
| LogP ≤ 5 | 27.21 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 31 |
Frequently Asked Questions
What is the IUPAC name of 3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;1-pyridin-3-yl-3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one;1-pyridin-3-yl-3-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one?
The IUPAC name of 3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;1-pyridin-3-yl-3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one;1-pyridin-3-yl-3-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one (CID 162262818) is 3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;1-pyridin-3-yl-3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one;1-pyridin-3-yl-3-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one.
What is the SMILES notation for 3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;1-pyridin-3-yl-3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one;1-pyridin-3-yl-3-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one?
The canonical SMILES for 3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;1-pyridin-3-yl-3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one;1-pyridin-3-yl-3-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one is COc1ccc(-c2cc(CCC(=O)c3cccnc3)on2)cc1.COc1cccc(-c2cc(CCC(=O)c3cccnc3)on2)c1.COc1ccccc1-c1cc(CCC(=O)c2cccnc2)on1.O=C(CCc1cc(-c2ccc(C(F)(F)F)cc2)no1)c1cccnc1.O=C(CCc1cc(-c2ccc(F)cc2)no1)c1cccnc1.O=C(CCc1cc(-c2ccccc2C(F)(F)F)no1)c1cccnc1.O=C(CCc1cc(-c2ccccc2F)no1)c1cccnc1.
What is the InChIKey of 3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;1-pyridin-3-yl-3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one;1-pyridin-3-yl-3-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one?
The InChIKey is ZZMFVZHZOKCWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H13F3N2O2.3C18H16N2O3.2C17H13FN2O2/c19-18(20,21)14-5-3-12(4-6-14)16-10-15(25-23-16)7-8-17(24)13-2-1-9-22-11-13;19-18(20,21)15-6-2-1-5-14(15)16-10-13(25-23-16)7-8-17(24)12-4-3-9-22-11-12;1-22-15-6-2-4-13(10-15)17-11-16(23-20-17)7-8-18(21)14-5-3-9-19-12-14;1-22-15-6-4-13(5-7-15)17-11-16(23-20-17)8-9-18(21)14-3-2-10-19-12-14;1-22-18-7-3-2-6-15(18)16-11-14(23-20-16)8-9-17(21)13-5-4-10-19-12-13;18-14-5-3-12(4-6-14)16-10-15(22-20-16)7-8-17(21)13-2-1-9-19-11-13;18-15-6-2-1-5-14(15)16-10-13(22-20-16)7-8-17(21)12-4-3-9-19-11-12/h2*1-6,9-11H,7-8H2;2-6,9-12H,7-8H2,1H3;2*2-7,10-12H,8-9H2,1H3;2*1-6,9-11H,7-8H2.
What are the key properties of 3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;1-pyridin-3-yl-3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one;1-pyridin-3-yl-3-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one?
3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;1-pyridin-3-yl-3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one;1-pyridin-3-yl-3-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one has a molecular weight of 2210.23 g/mol, XLogP of 27.21, 38 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;1-pyridin-3-yl-3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one;1-pyridin-3-yl-3-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one is sourced from PubChem (CID 162262818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 162262818 — identifiers, structure, computed properties (public domain)
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