(4S)-3-[(2S,3S)-2-[[4-(4-fluorophenyl)phenyl]methoxy]-3-hydroxy-2-methyl-3-(5-methylsulfanyl-1,2-oxazol-3-yl)propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one

C32H31FN2O6S — CID 58354291

IUPAC(4S)-3-[(2S,3S)-2-[[4-(4-fluorophenyl)phenyl]methoxy]-3-hydroxy-2-methyl-3-(5-methylsulfanyl-1,2-oxazol-3-yl)propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
SMILESCSc1cc([C@H](O)[C@](C)(OCc2ccc(-c3ccc(F)cc3)cc2)C(=O)N2C(=O)OC(C)(C)[C@@H]2c2ccccc2)no1
InChIInChI=1S/C32H31FN2O6S/c1-31(2)27(23-8-6-5-7-9-23)35(30(38)40-31)29(37)32(3,28(36)25-18-26(42-4)41-34-25)39-19-20-10-12-21(13-11-20)22-14-16-24(33)17-15-22/h5-18,27-28,36H,19H2,1-4H3/t27-,28-,32-/m0/s1
InChIKeyKHXLXUXHMOCCHO-HPSLPFNASA-N
MW590.67 g/mol
LogP6.71
Rot. Bonds9

About (4S)-3-[(2S,3S)-2-[[4-(4-fluorophenyl)phenyl]methoxy]-3-hydroxy-2-methyl-3-(5-methylsulfanyl-1,2-oxazol-3-yl)propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one

(4S)-3-[(2S,3S)-2-[[4-(4-fluorophenyl)phenyl]methoxy]-3-hydroxy-2-methyl-3-(5-methylsulfanyl-1,2-oxazol-3-yl)propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 58354291) has the molecular formula C32H31FN2O6S and a molecular weight of 590.67 g/mol. Its IUPAC name is (4S)-3-[(2S,3S)-2-[[4-(4-fluorophenyl)phenyl]methoxy]-3-hydroxy-2-methyl-3-(5-methylsulfanyl-1,2-oxazol-3-yl)propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(2S,3S)-2-[[4-(4-fluorophenyl)phenyl]methoxy]-3-hydroxy-2-methyl-3-(5-methylsulfanyl-1,2-oxazol-3-yl)propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
PubChem CID58354291
Molecular FormulaC32H31FN2O6S
Molecular Weight590.67 g/mol
Exact Mass590.19
IUPAC Name(4S)-3-[(2S,3S)-2-[[4-(4-fluorophenyl)phenyl]methoxy]-3-hydroxy-2-methyl-3-(5-methylsulfanyl-1,2-oxazol-3-yl)propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
SMILESCSc1cc([C@H](O)[C@](C)(OCc2ccc(-c3ccc(F)cc3)cc2)C(=O)N2C(=O)OC(C)(C)[C@@H]2c2ccccc2)no1
InChIInChI=1S/C32H31FN2O6S/c1-31(2)27(23-8-6-5-7-9-23)35(30(38)40-31)29(37)32(3,28(36)25-18-26(42-4)41-34-25)39-19-20-10-12-21(13-11-20)22-14-16-24(33)17-15-22/h5-18,27-28,36H,19H2,1-4H3/t27-,28-,32-/m0/s1
InChIKeyKHXLXUXHMOCCHO-HPSLPFNASA-N
XLogP6.71
TPSA102.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.67
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (4S)-3-[(2S,3S)-2-[[4-(4-fluorophenyl)phenyl]methoxy]-3-hydroxy-2-methyl-3-(5-methylsulfanyl-1,2-oxazol-3-yl)propanoyl]-5,5-dimethyl-4-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 (4S)-3-[(2S,3S)-2-[[4-(4-fluorophenyl)phenyl]methoxy]-3-hydroxy-2-methyl-3-(5-methylsulfanyl-1,2-oxazol-3-yl)propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(2S,3S)-2-[[4-(4-fluorophenyl)phenyl]methoxy]-3-hydroxy-2-methyl-3-(5-methylsulfanyl-1,2-oxazol-3-yl)propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one (CID 58354291) is (4S)-3-[(2S,3S)-2-[[4-(4-fluorophenyl)phenyl]methoxy]-3-hydroxy-2-methyl-3-(5-methylsulfanyl-1,2-oxazol-3-yl)propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(2S,3S)-2-[[4-(4-fluorophenyl)phenyl]methoxy]-3-hydroxy-2-methyl-3-(5-methylsulfanyl-1,2-oxazol-3-yl)propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(2S,3S)-2-[[4-(4-fluorophenyl)phenyl]methoxy]-3-hydroxy-2-methyl-3-(5-methylsulfanyl-1,2-oxazol-3-yl)propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one is CSc1cc([C@H](O)[C@](C)(OCc2ccc(-c3ccc(F)cc3)cc2)C(=O)N2C(=O)OC(C)(C)[C@@H]2c2ccccc2)no1.
What is the InChIKey of (4S)-3-[(2S,3S)-2-[[4-(4-fluorophenyl)phenyl]methoxy]-3-hydroxy-2-methyl-3-(5-methylsulfanyl-1,2-oxazol-3-yl)propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is KHXLXUXHMOCCHO-HPSLPFNASA-N. The full InChI is InChI=1S/C32H31FN2O6S/c1-31(2)27(23-8-6-5-7-9-23)35(30(38)40-31)29(37)32(3,28(36)25-18-26(42-4)41-34-25)39-19-20-10-12-21(13-11-20)22-14-16-24(33)17-15-22/h5-18,27-28,36H,19H2,1-4H3/t27-,28-,32-/m0/s1.
What are the key properties of (4S)-3-[(2S,3S)-2-[[4-(4-fluorophenyl)phenyl]methoxy]-3-hydroxy-2-methyl-3-(5-methylsulfanyl-1,2-oxazol-3-yl)propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one?
(4S)-3-[(2S,3S)-2-[[4-(4-fluorophenyl)phenyl]methoxy]-3-hydroxy-2-methyl-3-(5-methylsulfanyl-1,2-oxazol-3-yl)propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 590.67 g/mol, XLogP of 6.71, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(2S,3S)-2-[[4-(4-fluorophenyl)phenyl]methoxy]-3-hydroxy-2-methyl-3-(5-methylsulfanyl-1,2-oxazol-3-yl)propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 58354291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).