5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(2-chloro-4-fluoro-5-propan-2-ylphenyl)-5-methylsulfanylphenyl]methyl]-4-methyl-1,3-oxazolidin-2-one

C29H25ClF7NO2S — CID 73061609

IUPAC5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(2-chloro-4-fluoro-5-propan-2-ylphenyl)-5-methylsulfanylphenyl]methyl]-4-methyl-1,3-oxazolidin-2-one
SMILESCSc1ccc(-c2cc(C(C)C)c(F)cc2Cl)c(CN2C(=O)OC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2C)c1
InChIInChI=1S/C29H25ClF7NO2S/c1-14(2)22-11-23(24(30)12-25(22)31)21-6-5-20(41-4)9-17(21)13-38-15(3)26(40-27(38)39)16-7-18(28(32,33)34)10-19(8-16)29(35,36)37/h5-12,14-15,26H,13H2,1-4H3
InChIKeyNGAWEVYCGIAUNE-UHFFFAOYSA-N
MW620.03 g/mol
LogP10.11
Rot. Bonds6

About 5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(2-chloro-4-fluoro-5-propan-2-ylphenyl)-5-methylsulfanylphenyl]methyl]-4-methyl-1,3-oxazolidin-2-one

5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(2-chloro-4-fluoro-5-propan-2-ylphenyl)-5-methylsulfanylphenyl]methyl]-4-methyl-1,3-oxazolidin-2-one (PubChem CID 73061609) has the molecular formula C29H25ClF7NO2S and a molecular weight of 620.03 g/mol. Its IUPAC name is 5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(2-chloro-4-fluoro-5-propan-2-ylphenyl)-5-methylsulfanylphenyl]methyl]-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(2-chloro-4-fluoro-5-propan-2-ylphenyl)-5-methylsulfanylphenyl]methyl]-4-methyl-1,3-oxazolidin-2-one
PubChem CID73061609
Molecular FormulaC29H25ClF7NO2S
Molecular Weight620.03 g/mol
Exact Mass619.12
IUPAC Name5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(2-chloro-4-fluoro-5-propan-2-ylphenyl)-5-methylsulfanylphenyl]methyl]-4-methyl-1,3-oxazolidin-2-one
SMILESCSc1ccc(-c2cc(C(C)C)c(F)cc2Cl)c(CN2C(=O)OC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2C)c1
InChIInChI=1S/C29H25ClF7NO2S/c1-14(2)22-11-23(24(30)12-25(22)31)21-6-5-20(41-4)9-17(21)13-38-15(3)26(40-27(38)39)16-7-18(28(32,33)34)10-19(8-16)29(35,36)37/h5-12,14-15,26H,13H2,1-4H3
InChIKeyNGAWEVYCGIAUNE-UHFFFAOYSA-N
XLogP10.11
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.03
LogP ≤ 510.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(2-chloro-4-fluoro-5-propan-2-ylphenyl)-5-methylsulfanylphenyl]methyl]-4-methyl-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethylsulfanyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one
CID 57392491
(4S)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-propan-2-ylphenyl]methyl]-4-methyl-1,3-oxazolidin-2-one
CID 59287336
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one;methane
CID 161497090
(4R,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[5-bromo-2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one
CID 87121657
(4S)-3-[[5-amino-2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)phenyl]methyl]-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one
CID 59287349
3-[[5-amino-2-(2-chloro-5-propan-2-ylphenyl)phenyl]methyl]-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one
CID 73014766
(4S,5R)-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-methylphenyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 90148854
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-isocyanophenyl]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-methylphenyl]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-methylsulfanylphenyl]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-methylsulfonylphenyl]methyl]-4-methyl-1,3-oxazolidin-2-one
CID 161201872
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-propan-2-ylsulfonylphenyl]methyl]-4-methyl-1,3-oxazolidin-2-one
CID 57397759
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-propylsulfonylphenyl]methyl]-4-methyl-1,3-oxazolidin-2-one
CID 57390686
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[6-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-1,3-dihydro-2-benzofuran-5-yl]methyl]-4-methyl-1,3-oxazolidin-2-one
CID 24970058
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-[4-fluoro-5-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-2-methoxyphenyl]-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one
CID 59818351

Frequently Asked Questions

What is the IUPAC name of 5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(2-chloro-4-fluoro-5-propan-2-ylphenyl)-5-methylsulfanylphenyl]methyl]-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(2-chloro-4-fluoro-5-propan-2-ylphenyl)-5-methylsulfanylphenyl]methyl]-4-methyl-1,3-oxazolidin-2-one (CID 73061609) is 5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(2-chloro-4-fluoro-5-propan-2-ylphenyl)-5-methylsulfanylphenyl]methyl]-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(2-chloro-4-fluoro-5-propan-2-ylphenyl)-5-methylsulfanylphenyl]methyl]-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(2-chloro-4-fluoro-5-propan-2-ylphenyl)-5-methylsulfanylphenyl]methyl]-4-methyl-1,3-oxazolidin-2-one is CSc1ccc(-c2cc(C(C)C)c(F)cc2Cl)c(CN2C(=O)OC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2C)c1.
What is the InChIKey of 5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(2-chloro-4-fluoro-5-propan-2-ylphenyl)-5-methylsulfanylphenyl]methyl]-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is NGAWEVYCGIAUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25ClF7NO2S/c1-14(2)22-11-23(24(30)12-25(22)31)21-6-5-20(41-4)9-17(21)13-38-15(3)26(40-27(38)39)16-7-18(28(32,33)34)10-19(8-16)29(35,36)37/h5-12,14-15,26H,13H2,1-4H3.
What are the key properties of 5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(2-chloro-4-fluoro-5-propan-2-ylphenyl)-5-methylsulfanylphenyl]methyl]-4-methyl-1,3-oxazolidin-2-one?
5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(2-chloro-4-fluoro-5-propan-2-ylphenyl)-5-methylsulfanylphenyl]methyl]-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 620.03 g/mol, XLogP of 10.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(2-chloro-4-fluoro-5-propan-2-ylphenyl)-5-methylsulfanylphenyl]methyl]-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 73061609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).