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

C25H22F3NO4 — CID 25064168

IUPAC(4R)-4-(4-hydroxyphenyl)-5-[(1S)-1-hydroxy-3-phenylpropyl]-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
SMILESO=C1OC([C@@H](O)CCc2ccccc2)[C@@H](c2ccc(O)cc2)N1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C25H22F3NO4/c26-25(27,28)18-9-11-19(12-10-18)29-22(17-7-13-20(30)14-8-17)23(33-24(29)32)21(31)15-6-16-4-2-1-3-5-16/h1-5,7-14,21-23,30-31H,6,15H2/t21-,22+,23?/m0/s1
InChIKeyZVQJTCGRNVZNNC-ZVTBYLAHSA-N
MW457.45 g/mol
LogP5.47
Rot. Bonds6

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

(4R)-4-(4-hydroxyphenyl)-5-[(1S)-1-hydroxy-3-phenylpropyl]-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one (PubChem CID 25064168) has the molecular formula C25H22F3NO4 and a molecular weight of 457.45 g/mol. Its IUPAC name is (4R)-4-(4-hydroxyphenyl)-5-[(1S)-1-hydroxy-3-phenylpropyl]-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(4-hydroxyphenyl)-5-[(1S)-1-hydroxy-3-phenylpropyl]-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
PubChem CID25064168
Molecular FormulaC25H22F3NO4
Molecular Weight457.45 g/mol
Exact Mass457.15
IUPAC Name(4R)-4-(4-hydroxyphenyl)-5-[(1S)-1-hydroxy-3-phenylpropyl]-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
SMILESO=C1OC([C@@H](O)CCc2ccccc2)[C@@H](c2ccc(O)cc2)N1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C25H22F3NO4/c26-25(27,28)18-9-11-19(12-10-18)29-22(17-7-13-20(30)14-8-17)23(33-24(29)32)21(31)15-6-16-4-2-1-3-5-16/h1-5,7-14,21-23,30-31H,6,15H2/t21-,22+,23?/m0/s1
InChIKeyZVQJTCGRNVZNNC-ZVTBYLAHSA-N
XLogP5.47
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.45
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4R)-4-(4-hydroxyphenyl)-5-[(1S)-1-hydroxy-3-phenylpropyl]-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-hydroxyphenyl)-5-[(1S)-1-hydroxy-3-phenylpropyl]-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-(4-hydroxyphenyl)-5-[(1S)-1-hydroxy-3-phenylpropyl]-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one (CID 25064168) is (4R)-4-(4-hydroxyphenyl)-5-[(1S)-1-hydroxy-3-phenylpropyl]-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-(4-hydroxyphenyl)-5-[(1S)-1-hydroxy-3-phenylpropyl]-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-(4-hydroxyphenyl)-5-[(1S)-1-hydroxy-3-phenylpropyl]-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one is O=C1OC([C@@H](O)CCc2ccccc2)[C@@H](c2ccc(O)cc2)N1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (4R)-4-(4-hydroxyphenyl)-5-[(1S)-1-hydroxy-3-phenylpropyl]-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The InChIKey is ZVQJTCGRNVZNNC-ZVTBYLAHSA-N. The full InChI is InChI=1S/C25H22F3NO4/c26-25(27,28)18-9-11-19(12-10-18)29-22(17-7-13-20(30)14-8-17)23(33-24(29)32)21(31)15-6-16-4-2-1-3-5-16/h1-5,7-14,21-23,30-31H,6,15H2/t21-,22+,23?/m0/s1.
What are the key properties of (4R)-4-(4-hydroxyphenyl)-5-[(1S)-1-hydroxy-3-phenylpropyl]-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
(4R)-4-(4-hydroxyphenyl)-5-[(1S)-1-hydroxy-3-phenylpropyl]-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 457.45 g/mol, XLogP of 5.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-hydroxyphenyl)-5-[(1S)-1-hydroxy-3-phenylpropyl]-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 25064168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).