About 5-(4-fluorophenyl)-4-[(4-fluorophenyl)methyl]-1,3-oxazolidin-2-one
5-(4-fluorophenyl)-4-[(4-fluorophenyl)methyl]-1,3-oxazolidin-2-one (PubChem CID 22262167) has the molecular formula C16H13F2NO2
and a molecular weight of 289.28 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-[(4-fluorophenyl)methyl]-1,3-oxazolidin-2-one.
Molecular Properties
| Compound Name | 5-(4-fluorophenyl)-4-[(4-fluorophenyl)methyl]-1,3-oxazolidin-2-one |
| PubChem CID | 22262167 |
| Molecular Formula | C16H13F2NO2 |
| Molecular Weight | 289.28 g/mol |
| Exact Mass | 289.09 |
| IUPAC Name | 5-(4-fluorophenyl)-4-[(4-fluorophenyl)methyl]-1,3-oxazolidin-2-one |
| SMILES | O=C1NC(Cc2ccc(F)cc2)C(c2ccc(F)cc2)O1 |
| InChI | InChI=1S/C16H13F2NO2/c17-12-5-1-10(2-6-12)9-14-15(21-16(20)19-14)11-3-7-13(18)8-4-11/h1-8,14-15H,9H2,(H,19,20) |
| InChIKey | KUOYYZAMUVWASP-UHFFFAOYSA-N |
| XLogP | 3.36 |
| TPSA | 38.33 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 21 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 289.28 |
| LogP ≤ 5 | 3.36 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 5-(4-fluorophenyl)-4-[(4-fluorophenyl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-(4-fluorophenyl)-4-[(4-fluorophenyl)methyl]-1,3-oxazolidin-2-one (CID 22262167) is 5-(4-fluorophenyl)-4-[(4-fluorophenyl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(4-fluorophenyl)-4-[(4-fluorophenyl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(4-fluorophenyl)-4-[(4-fluorophenyl)methyl]-1,3-oxazolidin-2-one is O=C1NC(Cc2ccc(F)cc2)C(c2ccc(F)cc2)O1.
What is the InChIKey of 5-(4-fluorophenyl)-4-[(4-fluorophenyl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is KUOYYZAMUVWASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO2/c17-12-5-1-10(2-6-12)9-14-15(21-16(20)19-14)11-3-7-13(18)8-4-11/h1-8,14-15H,9H2,(H,19,20).
What are the key properties of 5-(4-fluorophenyl)-4-[(4-fluorophenyl)methyl]-1,3-oxazolidin-2-one?
5-(4-fluorophenyl)-4-[(4-fluorophenyl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 289.28 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-4-[(4-fluorophenyl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 22262167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).