9H-fluoren-9-ylmethyl (4S)-5-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-3-carboxylate

C26H20F3NO4 — CID 163652845

IUPAC9H-fluoren-9-ylmethyl (4S)-5-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-3-carboxylate
SMILESO=C1OCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H]1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C26H20F3NO4/c27-26(28,29)17-7-5-6-16(12-17)13-23-24(31)34-15-30(23)25(32)33-14-22-20-10-3-1-8-18(20)19-9-2-4-11-21(19)22/h1-12,22-23H,13-15H2/t23-/m0/s1
InChIKeyINRVMWBRFZPMIM-QHCPKHFHSA-N
MW467.44 g/mol
LogP5.38
Rot. Bonds4

About 9H-fluoren-9-ylmethyl (4S)-5-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-3-carboxylate

9H-fluoren-9-ylmethyl (4S)-5-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-3-carboxylate (PubChem CID 163652845) has the molecular formula C26H20F3NO4 and a molecular weight of 467.44 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl (4S)-5-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl (4S)-5-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-3-carboxylate
PubChem CID163652845
Molecular FormulaC26H20F3NO4
Molecular Weight467.44 g/mol
Exact Mass467.13
IUPAC Name9H-fluoren-9-ylmethyl (4S)-5-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-3-carboxylate
SMILESO=C1OCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H]1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C26H20F3NO4/c27-26(28,29)17-7-5-6-16(12-17)13-23-24(31)34-15-30(23)25(32)33-14-22-20-10-3-1-8-18(20)19-9-2-4-11-21(19)22/h1-12,22-23H,13-15H2/t23-/m0/s1
InChIKeyINRVMWBRFZPMIM-QHCPKHFHSA-N
XLogP5.38
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.44
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9H-fluoren-9-ylmethyl 4-[(3-bromophenyl)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate
CID 165022358
9H-fluoren-9-ylmethyl (4S)-5-oxo-4-(phenylmethoxymethyl)-1,3-oxazolidine-3-carboxylate
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9H-fluoren-9-ylmethyl (4S)-4-(isocyanomethyl)-5-oxo-1,3-oxazolidine-3-carboxylate
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9H-fluoren-9-ylmethyl (4S)-4-(ethoxymethyl)-5-oxo-1,3-oxazolidine-3-carboxylate
CID 121333131
9H-fluoren-9-ylmethyl (4S)-5-oxo-4-(3-oxo-3-phenylmethoxypropyl)-1,3-oxazolidine-3-carboxylate
CID 102109508
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CID 89396784
9H-fluoren-9-ylmethyl (4S)-5-oxo-4-(2-pyridin-3-ylethyl)-1,3-oxazolidine-3-carboxylate
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9H-fluoren-9-ylmethyl (4S)-4-[(2-chlorophenoxy)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate
CID 146517878
9H-fluoren-9-ylmethyl (4S)-4-[(3-hydroxy-3-methylbutoxy)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate
CID 146517677
9H-fluoren-9-ylmethyl (4S)-5-oxo-4-[(1-prop-2-enoxycarbonylpiperidin-4-yl)methyl]-1,3-oxazolidine-3-carboxylate
CID 169024984
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CID 171965459
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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl (4S)-5-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-3-carboxylate?
The IUPAC name of 9H-fluoren-9-ylmethyl (4S)-5-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-3-carboxylate (CID 163652845) is 9H-fluoren-9-ylmethyl (4S)-5-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl (4S)-5-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for 9H-fluoren-9-ylmethyl (4S)-5-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-3-carboxylate is O=C1OCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H]1Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 9H-fluoren-9-ylmethyl (4S)-5-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-3-carboxylate?
The InChIKey is INRVMWBRFZPMIM-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H20F3NO4/c27-26(28,29)17-7-5-6-16(12-17)13-23-24(31)34-15-30(23)25(32)33-14-22-20-10-3-1-8-18(20)19-9-2-4-11-21(19)22/h1-12,22-23H,13-15H2/t23-/m0/s1.
What are the key properties of 9H-fluoren-9-ylmethyl (4S)-5-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-3-carboxylate?
9H-fluoren-9-ylmethyl (4S)-5-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-3-carboxylate has a molecular weight of 467.44 g/mol, XLogP of 5.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl (4S)-5-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 163652845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).