(4R,5S)-3-(4-fluorophenyl)-5-(2-hydroxyphenyl)-4-[(1R)-1-hydroxy-3-phenylpropyl]-1,3-oxazolidin-2-one

C24H22FNO4 — CID 69170387

IUPAC(4R,5S)-3-(4-fluorophenyl)-5-(2-hydroxyphenyl)-4-[(1R)-1-hydroxy-3-phenylpropyl]-1,3-oxazolidin-2-one
SMILESO=C1O[C@@H](c2ccccc2O)[C@@H]([C@H](O)CCc2ccccc2)N1c1ccc(F)cc1
InChIInChI=1S/C24H22FNO4/c25-17-11-13-18(14-12-17)26-22(21(28)15-10-16-6-2-1-3-7-16)23(30-24(26)29)19-8-4-5-9-20(19)27/h1-9,11-14,21-23,27-28H,10,15H2/t21-,22-,23+/m1/s1
InChIKeyMTHNRUJDDKFEPW-ZLNRFVROSA-N
MW407.44 g/mol
LogP4.59
Rot. Bonds6

About (4R,5S)-3-(4-fluorophenyl)-5-(2-hydroxyphenyl)-4-[(1R)-1-hydroxy-3-phenylpropyl]-1,3-oxazolidin-2-one

(4R,5S)-3-(4-fluorophenyl)-5-(2-hydroxyphenyl)-4-[(1R)-1-hydroxy-3-phenylpropyl]-1,3-oxazolidin-2-one (PubChem CID 69170387) has the molecular formula C24H22FNO4 and a molecular weight of 407.44 g/mol. Its IUPAC name is (4R,5S)-3-(4-fluorophenyl)-5-(2-hydroxyphenyl)-4-[(1R)-1-hydroxy-3-phenylpropyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-3-(4-fluorophenyl)-5-(2-hydroxyphenyl)-4-[(1R)-1-hydroxy-3-phenylpropyl]-1,3-oxazolidin-2-one
PubChem CID69170387
Molecular FormulaC24H22FNO4
Molecular Weight407.44 g/mol
Exact Mass407.15
IUPAC Name(4R,5S)-3-(4-fluorophenyl)-5-(2-hydroxyphenyl)-4-[(1R)-1-hydroxy-3-phenylpropyl]-1,3-oxazolidin-2-one
SMILESO=C1O[C@@H](c2ccccc2O)[C@@H]([C@H](O)CCc2ccccc2)N1c1ccc(F)cc1
InChIInChI=1S/C24H22FNO4/c25-17-11-13-18(14-12-17)26-22(21(28)15-10-16-6-2-1-3-7-16)23(30-24(26)29)19-8-4-5-9-20(19)27/h1-9,11-14,21-23,27-28H,10,15H2/t21-,22-,23+/m1/s1
InChIKeyMTHNRUJDDKFEPW-ZLNRFVROSA-N
XLogP4.59
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.44
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4R,5S)-5-(4-hydroxyphenyl)-4-[(1R)-1-hydroxy-3-phenylpropyl]-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 69170050
(4R)-4-(4-hydroxyphenyl)-5-[(1S)-1-hydroxy-3-phenylpropyl]-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 25064168
(4R,5S)-4-[(1R)-2-(4-fluorophenoxy)-1-hydroxyethyl]-3-(4-fluorophenyl)-5-(4-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 69171046
5-(1-hydroxy-3-phenylpropyl)-3,4-bis(4-methoxyphenyl)-1,3-oxazolidin-2-one
CID 69170299
(4R,5S)-N-benzyl-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
CID 69188987
(4S,5S)-5-[(1R)-1-hydroxy-3-phenylpropyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 10587635
2-[2-[3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]-2-hydroxyethoxy]benzonitrile
CID 69170307
(4R,5R)-3-(4-fluorophenyl)-5-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 11304826
(4R,5S)-3-(4-fluorophenyl)-5-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 11618726
trans-(2S,3S)-3-hydroxy-2-[(1S)-1-hydroxy-3-phenylpropyl]cyclopentan-1-one
CID 101184919
(4R,5R)-4-[2,4-bis(phenylmethoxy)phenyl]-5-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one
CID 69164932
4-[cyclopropyl(phenyl)methyl]-3-hydroxy-2-(1-hydroxy-3-phenylpropyl)-2H-furan-5-one
CID 54687909

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-3-(4-fluorophenyl)-5-(2-hydroxyphenyl)-4-[(1R)-1-hydroxy-3-phenylpropyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5S)-3-(4-fluorophenyl)-5-(2-hydroxyphenyl)-4-[(1R)-1-hydroxy-3-phenylpropyl]-1,3-oxazolidin-2-one (CID 69170387) is (4R,5S)-3-(4-fluorophenyl)-5-(2-hydroxyphenyl)-4-[(1R)-1-hydroxy-3-phenylpropyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5S)-3-(4-fluorophenyl)-5-(2-hydroxyphenyl)-4-[(1R)-1-hydroxy-3-phenylpropyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5S)-3-(4-fluorophenyl)-5-(2-hydroxyphenyl)-4-[(1R)-1-hydroxy-3-phenylpropyl]-1,3-oxazolidin-2-one is O=C1O[C@@H](c2ccccc2O)[C@@H]([C@H](O)CCc2ccccc2)N1c1ccc(F)cc1.
What is the InChIKey of (4R,5S)-3-(4-fluorophenyl)-5-(2-hydroxyphenyl)-4-[(1R)-1-hydroxy-3-phenylpropyl]-1,3-oxazolidin-2-one?
The InChIKey is MTHNRUJDDKFEPW-ZLNRFVROSA-N. The full InChI is InChI=1S/C24H22FNO4/c25-17-11-13-18(14-12-17)26-22(21(28)15-10-16-6-2-1-3-7-16)23(30-24(26)29)19-8-4-5-9-20(19)27/h1-9,11-14,21-23,27-28H,10,15H2/t21-,22-,23+/m1/s1.
What are the key properties of (4R,5S)-3-(4-fluorophenyl)-5-(2-hydroxyphenyl)-4-[(1R)-1-hydroxy-3-phenylpropyl]-1,3-oxazolidin-2-one?
(4R,5S)-3-(4-fluorophenyl)-5-(2-hydroxyphenyl)-4-[(1R)-1-hydroxy-3-phenylpropyl]-1,3-oxazolidin-2-one has a molecular weight of 407.44 g/mol, XLogP of 4.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-3-(4-fluorophenyl)-5-(2-hydroxyphenyl)-4-[(1R)-1-hydroxy-3-phenylpropyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 69170387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).