(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-propan-2-ylsulfanylphenyl]methyl]-4-methyl-1,3-oxazolidin-2-one

C32H32F7NO3S — CID 57397758

IUPAC(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-propan-2-ylsulfanylphenyl]methyl]-4-methyl-1,3-oxazolidin-2-one
SMILESCOc1cc(F)c(C(C)C)cc1-c1ccc(SC(C)C)cc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C
InChIInChI=1S/C32H32F7NO3S/c1-16(2)25-13-26(28(42-6)14-27(25)33)24-8-7-23(44-17(3)4)11-20(24)15-40-18(5)29(43-30(40)41)19-9-21(31(34,35)36)12-22(10-19)32(37,38)39/h7-14,16-18,29H,15H2,1-6H3/t18-,29-/m0/s1
InChIKeyVHECVVWOCPJJKP-YRVHBCJASA-N
MW643.67 g/mol
LogP10.24
Rot. Bonds8

About (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-propan-2-ylsulfanylphenyl]methyl]-4-methyl-1,3-oxazolidin-2-one

(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-propan-2-ylsulfanylphenyl]methyl]-4-methyl-1,3-oxazolidin-2-one (PubChem CID 57397758) has the molecular formula C32H32F7NO3S and a molecular weight of 643.67 g/mol. Its IUPAC name is (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-propan-2-ylsulfanylphenyl]methyl]-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-propan-2-ylsulfanylphenyl]methyl]-4-methyl-1,3-oxazolidin-2-one
PubChem CID57397758
Molecular FormulaC32H32F7NO3S
Molecular Weight643.67 g/mol
Exact Mass643.20
IUPAC Name(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-propan-2-ylsulfanylphenyl]methyl]-4-methyl-1,3-oxazolidin-2-one
SMILESCOc1cc(F)c(C(C)C)cc1-c1ccc(SC(C)C)cc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C
InChIInChI=1S/C32H32F7NO3S/c1-16(2)25-13-26(28(42-6)14-27(25)33)24-8-7-23(44-17(3)4)11-20(24)15-40-18(5)29(43-30(40)41)19-9-21(31(34,35)36)12-22(10-19)32(37,38)39/h7-14,16-18,29H,15H2,1-6H3/t18-,29-/m0/s1
InChIKeyVHECVVWOCPJJKP-YRVHBCJASA-N
XLogP10.24
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.67
LogP ≤ 510.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-propan-2-ylsulfanylphenyl]methyl]-4-methyl-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,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-propan-2-ylsulfanylphenyl]methyl]-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-propan-2-ylsulfanylphenyl]methyl]-4-methyl-1,3-oxazolidin-2-one (CID 57397758) is (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-propan-2-ylsulfanylphenyl]methyl]-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-propan-2-ylsulfanylphenyl]methyl]-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-propan-2-ylsulfanylphenyl]methyl]-4-methyl-1,3-oxazolidin-2-one is COc1cc(F)c(C(C)C)cc1-c1ccc(SC(C)C)cc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C.
What is the InChIKey of (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-propan-2-ylsulfanylphenyl]methyl]-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is VHECVVWOCPJJKP-YRVHBCJASA-N. The full InChI is InChI=1S/C32H32F7NO3S/c1-16(2)25-13-26(28(42-6)14-27(25)33)24-8-7-23(44-17(3)4)11-20(24)15-40-18(5)29(43-30(40)41)19-9-21(31(34,35)36)12-22(10-19)32(37,38)39/h7-14,16-18,29H,15H2,1-6H3/t18-,29-/m0/s1.
What are the key properties of (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-propan-2-ylsulfanylphenyl]methyl]-4-methyl-1,3-oxazolidin-2-one?
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-propan-2-ylsulfanylphenyl]methyl]-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 643.67 g/mol, XLogP of 10.24, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-propan-2-ylsulfanylphenyl]methyl]-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 57397758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).