(5S)-5-[(4-fluorophenoxy)methyl]-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-1,3-oxazolidin-2-one

C22H17F2NO4 — CID 71069170

IUPAC(5S)-5-[(4-fluorophenoxy)methyl]-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-1,3-oxazolidin-2-one
SMILESO=C1O[C@H](COc2ccc(F)cc2)C(c2ccc(O)cc2)N1c1ccc(F)cc1
InChIInChI=1S/C22H17F2NO4/c23-15-3-7-17(8-4-15)25-21(14-1-9-18(26)10-2-14)20(29-22(25)27)13-28-19-11-5-16(24)6-12-19/h1-12,20-21,26H,13H2/t20-,21?/m1/s1
InChIKeySOWDBHBGZWLURF-VQCQRNETSA-N
MW397.38 g/mol
LogP4.82
Rot. Bonds5

About (5S)-5-[(4-fluorophenoxy)methyl]-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-1,3-oxazolidin-2-one

(5S)-5-[(4-fluorophenoxy)methyl]-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-1,3-oxazolidin-2-one (PubChem CID 71069170) has the molecular formula C22H17F2NO4 and a molecular weight of 397.38 g/mol. Its IUPAC name is (5S)-5-[(4-fluorophenoxy)methyl]-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[(4-fluorophenoxy)methyl]-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-1,3-oxazolidin-2-one
PubChem CID71069170
Molecular FormulaC22H17F2NO4
Molecular Weight397.38 g/mol
Exact Mass397.11
IUPAC Name(5S)-5-[(4-fluorophenoxy)methyl]-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-1,3-oxazolidin-2-one
SMILESO=C1O[C@H](COc2ccc(F)cc2)C(c2ccc(O)cc2)N1c1ccc(F)cc1
InChIInChI=1S/C22H17F2NO4/c23-15-3-7-17(8-4-15)25-21(14-1-9-18(26)10-2-14)20(29-22(25)27)13-28-19-11-5-16(24)6-12-19/h1-12,20-21,26H,13H2/t20-,21?/m1/s1
InChIKeySOWDBHBGZWLURF-VQCQRNETSA-N
XLogP4.82
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.38
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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)-3-(4-fluorophenyl)-5-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 11618726
5-[2-(4-chlorophenoxy)-1-hydroxyethyl]-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 69171990
(4R,5S)-4-[(1R)-2-(4-fluorophenoxy)-1-hydroxyethyl]-3-(4-fluorophenyl)-5-(4-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 69171046
(4R,5R)-3-(4-fluorophenyl)-5-[3-(4-fluorophenyl)-3-oxopropyl]-4-(4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one
CID 11555334
4-[(4R,5S)-5-(hydroxymethyl)-4-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidin-3-yl]benzonitrile
CID 69124709
(4R,5R)-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-5-[(4-phenyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one
CID 24994309
(4R,5S)-5-(hydroxymethyl)-3-phenyl-4-(4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one
CID 69124656
methyl 4-(4-butoxyphenyl)-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidine-5-carboxylate
CID 70951984
2-[2-[3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]-2-hydroxyethoxy]benzonitrile
CID 69170307
ethyl (4S,5R)-3-(4-fluorophenyl)-2-oxo-4-(4-phenylmethoxyphenyl)-1,3-oxazolidine-5-carboxylate
CID 54672052
(4R,5S)-N-benzyl-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
CID 69188987

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(4-fluorophenoxy)methyl]-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-5-[(4-fluorophenoxy)methyl]-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-1,3-oxazolidin-2-one (CID 71069170) is (5S)-5-[(4-fluorophenoxy)methyl]-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-5-[(4-fluorophenoxy)methyl]-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-5-[(4-fluorophenoxy)methyl]-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-1,3-oxazolidin-2-one is O=C1O[C@H](COc2ccc(F)cc2)C(c2ccc(O)cc2)N1c1ccc(F)cc1.
What is the InChIKey of (5S)-5-[(4-fluorophenoxy)methyl]-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-1,3-oxazolidin-2-one?
The InChIKey is SOWDBHBGZWLURF-VQCQRNETSA-N. The full InChI is InChI=1S/C22H17F2NO4/c23-15-3-7-17(8-4-15)25-21(14-1-9-18(26)10-2-14)20(29-22(25)27)13-28-19-11-5-16(24)6-12-19/h1-12,20-21,26H,13H2/t20-,21?/m1/s1.
What are the key properties of (5S)-5-[(4-fluorophenoxy)methyl]-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-1,3-oxazolidin-2-one?
(5S)-5-[(4-fluorophenoxy)methyl]-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-1,3-oxazolidin-2-one has a molecular weight of 397.38 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(4-fluorophenoxy)methyl]-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 71069170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).