4-(4-fluorophenyl)-6-[(4R,5S)-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]morpholin-3-one

C25H20F2N2O5 — CID 69171353

IUPAC4-(4-fluorophenyl)-6-[(4R,5S)-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]morpholin-3-one
SMILESO=C1COC([C@H]2OC(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(O)cc2)CN1c1ccc(F)cc1
InChIInChI=1S/C25H20F2N2O5/c26-16-3-7-18(8-4-16)28-13-21(33-14-22(28)31)24-23(15-1-11-20(30)12-2-15)29(25(32)34-24)19-9-5-17(27)6-10-19/h1-12,21,23-24,30H,13-14H2/t21?,23-,24-/m1/s1
InChIKeyXRTUMTMTJWMFJX-MXNGKVSJSA-N
MW466.44 g/mol
LogP4.17
Rot. Bonds4

About 4-(4-fluorophenyl)-6-[(4R,5S)-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]morpholin-3-one

4-(4-fluorophenyl)-6-[(4R,5S)-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]morpholin-3-one (PubChem CID 69171353) has the molecular formula C25H20F2N2O5 and a molecular weight of 466.44 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-6-[(4R,5S)-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]morpholin-3-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-6-[(4R,5S)-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]morpholin-3-one
PubChem CID69171353
Molecular FormulaC25H20F2N2O5
Molecular Weight466.44 g/mol
Exact Mass466.13
IUPAC Name4-(4-fluorophenyl)-6-[(4R,5S)-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]morpholin-3-one
SMILESO=C1COC([C@H]2OC(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(O)cc2)CN1c1ccc(F)cc1
InChIInChI=1S/C25H20F2N2O5/c26-16-3-7-18(8-4-16)28-13-21(33-14-22(28)31)24-23(15-1-11-20(30)12-2-15)29(25(32)34-24)19-9-5-17(27)6-10-19/h1-12,21,23-24,30H,13-14H2/t21?,23-,24-/m1/s1
InChIKeyXRTUMTMTJWMFJX-MXNGKVSJSA-N
XLogP4.17
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.44
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4R,5R)-3-(4-fluorophenyl)-5-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 11304826
(4R,5S)-4-(2,4-dihydroxyphenyl)-3-(4-fluorophenyl)-5-[(1R)-1-hydroxy-3-phenylpropyl]-1,3-oxazolidin-2-one
CID 44455588
(4R,5S)-5-[(1R)-2-(4-fluorophenoxy)-1-hydroxyethyl]-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 44455479
(4R,5S)-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-5-[(1R)-1-hydroxy-3-phenylpropyl]-1,3-oxazolidin-2-one
CID 44455650
(4R,5S)-3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-4-(4-hydroxyphenyl)-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide
CID 44455834
(4R,5S)-3-(3-fluorophenyl)-4-(4-hydroxyphenyl)-5-[(1R)-1-hydroxy-3-phenylpropyl]-1,3-oxazolidin-2-one
CID 25032954
(4R,5S)-4-(5-fluoro-2-hydroxyphenyl)-3-(3-fluorophenyl)-5-[(1R)-1-hydroxy-3-phenylpropyl]-1,3-oxazolidin-2-one
CID 44455504
(4R,5S)-4-(3-fluoro-2-hydroxyphenyl)-3-(3-fluorophenyl)-5-[(1R)-1-hydroxy-3-phenylpropyl]-1,3-oxazolidin-2-one
CID 44455505
(4R,5S)-4-(4-fluoro-2-hydroxyphenyl)-3-(3-fluorophenyl)-5-[(1R)-1-hydroxy-3-phenylpropyl]-1,3-oxazolidin-2-one
CID 44455532
(4R,5S)-3-(2-fluorophenyl)-4-(4-hydroxyphenyl)-5-[(1R)-1-hydroxy-3-phenylpropyl]-1,3-oxazolidin-2-one
CID 44455556
(4R,5S)-3-(4-fluorophenyl)-4-(2-hydroxyphenyl)-5-[(1R)-1-hydroxy-3-phenylpropyl]-1,3-oxazolidin-2-one
CID 44455616
(4R,5S)-3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-4-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
CID 44455862

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-6-[(4R,5S)-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]morpholin-3-one?
The IUPAC name of 4-(4-fluorophenyl)-6-[(4R,5S)-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]morpholin-3-one (CID 69171353) is 4-(4-fluorophenyl)-6-[(4R,5S)-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]morpholin-3-one.
What is the SMILES notation for 4-(4-fluorophenyl)-6-[(4R,5S)-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]morpholin-3-one?
The canonical SMILES for 4-(4-fluorophenyl)-6-[(4R,5S)-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]morpholin-3-one is O=C1COC([C@H]2OC(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(O)cc2)CN1c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-6-[(4R,5S)-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]morpholin-3-one?
The InChIKey is XRTUMTMTJWMFJX-MXNGKVSJSA-N. The full InChI is InChI=1S/C25H20F2N2O5/c26-16-3-7-18(8-4-16)28-13-21(33-14-22(28)31)24-23(15-1-11-20(30)12-2-15)29(25(32)34-24)19-9-5-17(27)6-10-19/h1-12,21,23-24,30H,13-14H2/t21?,23-,24-/m1/s1.
What are the key properties of 4-(4-fluorophenyl)-6-[(4R,5S)-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]morpholin-3-one?
4-(4-fluorophenyl)-6-[(4R,5S)-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]morpholin-3-one has a molecular weight of 466.44 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-6-[(4R,5S)-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]morpholin-3-one is sourced from PubChem (CID 69171353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).