About (3R)-1'-[1-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
(3R)-1'-[1-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one (PubChem CID 66661950) has the molecular formula C24H21FN2O5
and a molecular weight of 436.44 g/mol. Its IUPAC name is (3R)-1'-[1-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one.
Molecular Properties
| Compound Name | (3R)-1'-[1-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one |
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| PubChem CID | 66661950 |
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| Molecular Formula | C24H21FN2O5 |
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| Molecular Weight | 436.44 g/mol |
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| Exact Mass | 436.14 |
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| IUPAC Name | (3R)-1'-[1-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one |
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| SMILES | O=C1O[C@]2(CCN(C(=O)C3(c4ccc(N5CCOC5=O)cc4F)CC3)C2)c2ccccc21 |
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| InChI | InChI=1S/C24H21FN2O5/c25-19-13-15(27-11-12-31-22(27)30)5-6-18(19)23(7-8-23)21(29)26-10-9-24(14-26)17-4-2-1-3-16(17)20(28)32-24/h1-6,13H,7-12,14H2/t24-/m0/s1 |
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| InChIKey | PNCWYQCTFHHQIB-DEOSSOPVSA-N |
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| XLogP | 3.11 |
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| TPSA | 76.15 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 3 |
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| Heavy Atoms | 32 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 436.44 |
| LogP ≤ 5 | 3.11 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 5 |
Analyze (3R)-1'-[1-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one with MolForge
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Frequently Asked Questions
What is the IUPAC name of (3R)-1'-[1-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one?
The IUPAC name of (3R)-1'-[1-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one (CID 66661950) is (3R)-1'-[1-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one.
What is the SMILES notation for (3R)-1'-[1-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one?
The canonical SMILES for (3R)-1'-[1-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one is O=C1O[C@]2(CCN(C(=O)C3(c4ccc(N5CCOC5=O)cc4F)CC3)C2)c2ccccc21.
What is the InChIKey of (3R)-1'-[1-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one?
The InChIKey is PNCWYQCTFHHQIB-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H21FN2O5/c25-19-13-15(27-11-12-31-22(27)30)5-6-18(19)23(7-8-23)21(29)26-10-9-24(14-26)17-4-2-1-3-16(17)20(28)32-24/h1-6,13H,7-12,14H2/t24-/m0/s1.
What are the key properties of (3R)-1'-[1-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one?
(3R)-1'-[1-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one has a molecular weight of 436.44 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1'-[1-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one is sourced from PubChem (CID 66661950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).