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

C24H22FNO4 — CID 25032954

IUPAC(4R,5S)-3-(3-fluorophenyl)-4-(4-hydroxyphenyl)-5-[(1R)-1-hydroxy-3-phenylpropyl]-1,3-oxazolidin-2-one
SMILESO=C1O[C@H]([C@H](O)CCc2ccccc2)[C@@H](c2ccc(O)cc2)N1c1cccc(F)c1
InChIInChI=1S/C24H22FNO4/c25-18-7-4-8-19(15-18)26-22(17-10-12-20(27)13-11-17)23(30-24(26)29)21(28)14-9-16-5-2-1-3-6-16/h1-8,10-13,15,21-23,27-28H,9,14H2/t21-,22-,23-/m1/s1
InChIKeyFBXSIXHDAXQMCE-DNVJHFABSA-N
MW407.44 g/mol
LogP4.59
Rot. Bonds6

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

(4R,5S)-3-(3-fluorophenyl)-4-(4-hydroxyphenyl)-5-[(1R)-1-hydroxy-3-phenylpropyl]-1,3-oxazolidin-2-one (PubChem CID 25032954) has the molecular formula C24H22FNO4 and a molecular weight of 407.44 g/mol. Its IUPAC name is (4R,5S)-3-(3-fluorophenyl)-4-(4-hydroxyphenyl)-5-[(1R)-1-hydroxy-3-phenylpropyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-3-(3-fluorophenyl)-4-(4-hydroxyphenyl)-5-[(1R)-1-hydroxy-3-phenylpropyl]-1,3-oxazolidin-2-one
PubChem CID25032954
Molecular FormulaC24H22FNO4
Molecular Weight407.44 g/mol
Exact Mass407.15
IUPAC Name(4R,5S)-3-(3-fluorophenyl)-4-(4-hydroxyphenyl)-5-[(1R)-1-hydroxy-3-phenylpropyl]-1,3-oxazolidin-2-one
SMILESO=C1O[C@H]([C@H](O)CCc2ccccc2)[C@@H](c2ccc(O)cc2)N1c1cccc(F)c1
InChIInChI=1S/C24H22FNO4/c25-18-7-4-8-19(15-18)26-22(17-10-12-20(27)13-11-17)23(30-24(26)29)21(28)14-9-16-5-2-1-3-6-16/h1-8,10-13,15,21-23,27-28H,9,14H2/t21-,22-,23-/m1/s1
InChIKeyFBXSIXHDAXQMCE-DNVJHFABSA-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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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-3-(3-fluorophenyl)-4-(4-hydroxyphenyl)-5-[(1R)-1-hydroxy-3-phenylpropyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5S)-3-(3-fluorophenyl)-4-(4-hydroxyphenyl)-5-[(1R)-1-hydroxy-3-phenylpropyl]-1,3-oxazolidin-2-one (CID 25032954) is (4R,5S)-3-(3-fluorophenyl)-4-(4-hydroxyphenyl)-5-[(1R)-1-hydroxy-3-phenylpropyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5S)-3-(3-fluorophenyl)-4-(4-hydroxyphenyl)-5-[(1R)-1-hydroxy-3-phenylpropyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5S)-3-(3-fluorophenyl)-4-(4-hydroxyphenyl)-5-[(1R)-1-hydroxy-3-phenylpropyl]-1,3-oxazolidin-2-one is O=C1O[C@H]([C@H](O)CCc2ccccc2)[C@@H](c2ccc(O)cc2)N1c1cccc(F)c1.
What is the InChIKey of (4R,5S)-3-(3-fluorophenyl)-4-(4-hydroxyphenyl)-5-[(1R)-1-hydroxy-3-phenylpropyl]-1,3-oxazolidin-2-one?
The InChIKey is FBXSIXHDAXQMCE-DNVJHFABSA-N. The full InChI is InChI=1S/C24H22FNO4/c25-18-7-4-8-19(15-18)26-22(17-10-12-20(27)13-11-17)23(30-24(26)29)21(28)14-9-16-5-2-1-3-6-16/h1-8,10-13,15,21-23,27-28H,9,14H2/t21-,22-,23-/m1/s1.
What are the key properties of (4R,5S)-3-(3-fluorophenyl)-4-(4-hydroxyphenyl)-5-[(1R)-1-hydroxy-3-phenylpropyl]-1,3-oxazolidin-2-one?
(4R,5S)-3-(3-fluorophenyl)-4-(4-hydroxyphenyl)-5-[(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-(3-fluorophenyl)-4-(4-hydroxyphenyl)-5-[(1R)-1-hydroxy-3-phenylpropyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 25032954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).