(4S,5R)-3-[5-(4-chlorophenoxy)pyrazin-2-yl]-5-(hydroxymethyl)-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one

C21H15ClF3N3O4 — CID 59485828

IUPAC(4S,5R)-3-[5-(4-chlorophenoxy)pyrazin-2-yl]-5-(hydroxymethyl)-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
SMILESO=C1O[C@@H](CO)[C@H](c2cccc(C(F)(F)F)c2)N1c1cnc(Oc2ccc(Cl)cc2)cn1
InChIInChI=1S/C21H15ClF3N3O4/c22-14-4-6-15(7-5-14)31-18-10-26-17(9-27-18)28-19(16(11-29)32-20(28)30)12-2-1-3-13(8-12)21(23,24)25/h1-10,16,19,29H,11H2/t16-,19-/m0/s1
InChIKeyLJYFHOFRWDDRSN-LPHOPBHVSA-N
MW465.82 g/mol
LogP5.00
Rot. Bonds5

About (4S,5R)-3-[5-(4-chlorophenoxy)pyrazin-2-yl]-5-(hydroxymethyl)-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one

(4S,5R)-3-[5-(4-chlorophenoxy)pyrazin-2-yl]-5-(hydroxymethyl)-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one (PubChem CID 59485828) has the molecular formula C21H15ClF3N3O4 and a molecular weight of 465.82 g/mol. Its IUPAC name is (4S,5R)-3-[5-(4-chlorophenoxy)pyrazin-2-yl]-5-(hydroxymethyl)-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-3-[5-(4-chlorophenoxy)pyrazin-2-yl]-5-(hydroxymethyl)-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
PubChem CID59485828
Molecular FormulaC21H15ClF3N3O4
Molecular Weight465.82 g/mol
Exact Mass465.07
IUPAC Name(4S,5R)-3-[5-(4-chlorophenoxy)pyrazin-2-yl]-5-(hydroxymethyl)-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
SMILESO=C1O[C@@H](CO)[C@H](c2cccc(C(F)(F)F)c2)N1c1cnc(Oc2ccc(Cl)cc2)cn1
InChIInChI=1S/C21H15ClF3N3O4/c22-14-4-6-15(7-5-14)31-18-10-26-17(9-27-18)28-19(16(11-29)32-20(28)30)12-2-1-3-13(8-12)21(23,24)25/h1-10,16,19,29H,11H2/t16-,19-/m0/s1
InChIKeyLJYFHOFRWDDRSN-LPHOPBHVSA-N
XLogP5.00
TPSA84.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.82
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4S,5R)-3-[5-(4-chlorophenoxy)pyrazin-2-yl]-5-(hydroxymethyl)-4-[3-(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

Related Compounds

(4S)-3-[5-(4-chlorophenoxy)pyrazin-2-yl]-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 59485882
(4S,5R)-5-acetyl-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;1-chloro-4-(4-iodophenoxy)benzene;(4S,5S)-3-[4-(4-chlorophenoxy)phenyl]-5-ethyl-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-3-[4-(4-chlorophenoxy)phenyl]-5-(hydroxymethyl)-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5S)-5-ethyl-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-5-(hydroxymethyl)-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 159049826
(4S,5R)-3-(4-chlorophenyl)-5-[(4-fluorophenyl)methoxymethyl]-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 24947444
(5S)-1-[5-(4-chlorophenoxy)pyrazin-2-yl]-5-[(4-methoxyphenyl)methyl]-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 69044445
1-[5-[2-(4-chlorophenoxy)phenyl]pyrazin-2-yl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 69048368
(3S,5R)-1-[4-(4-chlorophenoxy)phenyl]-3-prop-2-enyl-5-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 59485752
[(2S,3S)-3-[3-(trifluoromethyl)phenyl]oxiran-2-yl]methanol
CID 22840453
2-[3-[4-(4-chlorophenoxy)phenyl]-2-oxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]-N-[2-(dimethylamino)ethyl]acetamide
CID 59486067
3-[(4S)-3-[4-(4-chlorophenoxy)phenyl]-2-oxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]propanamide
CID 59485935
3-[4-(4-chlorophenoxy)phenyl]-5-[2-oxo-3-(propylamino)propyl]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 25073620
3-[4-(4-chlorophenoxy)phenyl]-1-(3-nitrosopropyl)-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 143702820
[(4S,5R)-3-[4-(4-chlorophenoxy)phenyl]-2-oxo-4-phenyl-1,3-oxazolidin-5-yl]methyl N-cyclohexylcarbamate
CID 24946198

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-3-[5-(4-chlorophenoxy)pyrazin-2-yl]-5-(hydroxymethyl)-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-3-[5-(4-chlorophenoxy)pyrazin-2-yl]-5-(hydroxymethyl)-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one (CID 59485828) is (4S,5R)-3-[5-(4-chlorophenoxy)pyrazin-2-yl]-5-(hydroxymethyl)-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-3-[5-(4-chlorophenoxy)pyrazin-2-yl]-5-(hydroxymethyl)-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-3-[5-(4-chlorophenoxy)pyrazin-2-yl]-5-(hydroxymethyl)-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one is O=C1O[C@@H](CO)[C@H](c2cccc(C(F)(F)F)c2)N1c1cnc(Oc2ccc(Cl)cc2)cn1.
What is the InChIKey of (4S,5R)-3-[5-(4-chlorophenoxy)pyrazin-2-yl]-5-(hydroxymethyl)-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The InChIKey is LJYFHOFRWDDRSN-LPHOPBHVSA-N. The full InChI is InChI=1S/C21H15ClF3N3O4/c22-14-4-6-15(7-5-14)31-18-10-26-17(9-27-18)28-19(16(11-29)32-20(28)30)12-2-1-3-13(8-12)21(23,24)25/h1-10,16,19,29H,11H2/t16-,19-/m0/s1.
What are the key properties of (4S,5R)-3-[5-(4-chlorophenoxy)pyrazin-2-yl]-5-(hydroxymethyl)-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
(4S,5R)-3-[5-(4-chlorophenoxy)pyrazin-2-yl]-5-(hydroxymethyl)-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 465.82 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-3-[5-(4-chlorophenoxy)pyrazin-2-yl]-5-(hydroxymethyl)-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 59485828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).