About [3-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol
[3-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol (PubChem CID 69216936) has the molecular formula C30H26F3N3O5
and a molecular weight of 565.55 g/mol. Its IUPAC name is [3-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol.
Molecular Properties
| Compound Name | [3-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol |
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| PubChem CID | 69216936 |
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| Molecular Formula | C30H26F3N3O5 |
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| Molecular Weight | 565.55 g/mol |
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| Exact Mass | 565.18 |
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| IUPAC Name | [3-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol |
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| SMILES | COc1cc(COc2nn(-c3ccc(C(F)(F)F)cc3)cc2CO)ccc1OCc1nc(-c2ccccc2)oc1C |
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| InChI | InChI=1S/C30H26F3N3O5/c1-19-25(34-28(41-19)21-6-4-3-5-7-21)18-39-26-13-8-20(14-27(26)38-2)17-40-29-22(16-37)15-36(35-29)24-11-9-23(10-12-24)30(31,32)33/h3-15,37H,16-18H2,1-2H3 |
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| InChIKey | ITJITZRWVJSANX-UHFFFAOYSA-N |
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| XLogP | 6.51 |
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| TPSA | 91.77 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 10 |
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| Heavy Atoms | 41 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 565.55 |
| LogP ≤ 5 | 6.51 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 8 |
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Frequently Asked Questions
What is the IUPAC name of [3-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol?
The IUPAC name of [3-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol (CID 69216936) is [3-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol.
What is the SMILES notation for [3-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol?
The canonical SMILES for [3-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol is COc1cc(COc2nn(-c3ccc(C(F)(F)F)cc3)cc2CO)ccc1OCc1nc(-c2ccccc2)oc1C.
What is the InChIKey of [3-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol?
The InChIKey is ITJITZRWVJSANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26F3N3O5/c1-19-25(34-28(41-19)21-6-4-3-5-7-21)18-39-26-13-8-20(14-27(26)38-2)17-40-29-22(16-37)15-36(35-29)24-11-9-23(10-12-24)30(31,32)33/h3-15,37H,16-18H2,1-2H3.
What are the key properties of [3-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol?
[3-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol has a molecular weight of 565.55 g/mol, XLogP of 6.51, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol is sourced from PubChem (CID 69216936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).