(4R,5R)-2-methoxy-4-methyl-3-(4-methylphenyl)sulfonyl-2,5-diphenyl-1,3-oxazolidine

C24H25NO4S — CID 10895150

IUPAC(4R,5R)-2-methoxy-4-methyl-3-(4-methylphenyl)sulfonyl-2,5-diphenyl-1,3-oxazolidine
SMILESCOC1(c2ccccc2)O[C@H](c2ccccc2)[C@@H](C)N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C24H25NO4S/c1-18-14-16-22(17-15-18)30(26,27)25-19(2)23(20-10-6-4-7-11-20)29-24(25,28-3)21-12-8-5-9-13-21/h4-17,19,23H,1-3H3/t19-,23+,24?/m1/s1
InChIKeyQTAGSIXAHCIQIV-DHFLCVKNSA-N
MW423.53 g/mol
LogP4.60
Rot. Bonds5

About (4R,5R)-2-methoxy-4-methyl-3-(4-methylphenyl)sulfonyl-2,5-diphenyl-1,3-oxazolidine

(4R,5R)-2-methoxy-4-methyl-3-(4-methylphenyl)sulfonyl-2,5-diphenyl-1,3-oxazolidine (PubChem CID 10895150) has the molecular formula C24H25NO4S and a molecular weight of 423.53 g/mol. Its IUPAC name is (4R,5R)-2-methoxy-4-methyl-3-(4-methylphenyl)sulfonyl-2,5-diphenyl-1,3-oxazolidine.

Molecular Properties

Compound Name(4R,5R)-2-methoxy-4-methyl-3-(4-methylphenyl)sulfonyl-2,5-diphenyl-1,3-oxazolidine
PubChem CID10895150
Molecular FormulaC24H25NO4S
Molecular Weight423.53 g/mol
Exact Mass423.15
IUPAC Name(4R,5R)-2-methoxy-4-methyl-3-(4-methylphenyl)sulfonyl-2,5-diphenyl-1,3-oxazolidine
SMILESCOC1(c2ccccc2)O[C@H](c2ccccc2)[C@@H](C)N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C24H25NO4S/c1-18-14-16-22(17-15-18)30(26,27)25-19(2)23(20-10-6-4-7-11-20)29-24(25,28-3)21-12-8-5-9-13-21/h4-17,19,23H,1-3H3/t19-,23+,24?/m1/s1
InChIKeyQTAGSIXAHCIQIV-DHFLCVKNSA-N
XLogP4.60
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.53
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4R,5R)-2-methoxy-4-methyl-3-(4-methylphenyl)sulfonyl-2,5-diphenyl-1,3-oxazolidine with MolForge

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Related Compounds

benzyl 2-[(2S,4S)-4-benzyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]acetate
CID 53384073
1,3-Oxazine, tetrahydro-3-((4-methylphenyl)sulfonyl)-6-(4-morpholinylmethyl)-2-phenyl-
CID 218558
(2S)-1-(4-methylphenyl)sulfonyl-2-(phenylmethoxymethoxymethyl)pyrrolidine
CID 171353800
(1R,2S)-2-(N-Benzyl-2,4,6-trimethylphenylsulfonamido)-1-phenylpropyl propionate
CID 11190801
Acetic Acid (1S,2R)-2-[N-Benzyl-N-(mesitylenesulfonyl)amino]-1-phenylpropyl Ester
CID 10906725
Propionic Acid (1S,2R)-2-[N-Benzyl-N-(mesitylenesulfonyl)amino]-1-phenylpropyl Ester
CID 10961838
(2R,4R)-4-ethenyl-3-(4-methylphenyl)sulfonyl-4-phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazolidine
CID 134954820
4-[(4-Methylphenyl)sulfonyl]-2,6-diphenylmorpholine
CID 1216322
2-Phenyl-4-((4-propylphenyl)sulfonyl)morpholine
CID 16895241
N-[(1S)-2-ethenyl-1-phenyl-2-prop-2-enoxybut-3-enyl]-4-methyl-N-prop-2-enylbenzenesulfonamide
CID 11154460
3-(4-Methylphenyl)sulfonyl-2-phenyl-1,3-oxazolidine
CID 12492334
(RS)-2-(4-Fluoro-phenyl)-1-(4-methoxymethyl-benzenesulfonyl)-pyrrolidine
CID 21706731

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-2-methoxy-4-methyl-3-(4-methylphenyl)sulfonyl-2,5-diphenyl-1,3-oxazolidine?
The IUPAC name of (4R,5R)-2-methoxy-4-methyl-3-(4-methylphenyl)sulfonyl-2,5-diphenyl-1,3-oxazolidine (CID 10895150) is (4R,5R)-2-methoxy-4-methyl-3-(4-methylphenyl)sulfonyl-2,5-diphenyl-1,3-oxazolidine.
What is the SMILES notation for (4R,5R)-2-methoxy-4-methyl-3-(4-methylphenyl)sulfonyl-2,5-diphenyl-1,3-oxazolidine?
The canonical SMILES for (4R,5R)-2-methoxy-4-methyl-3-(4-methylphenyl)sulfonyl-2,5-diphenyl-1,3-oxazolidine is COC1(c2ccccc2)O[C@H](c2ccccc2)[C@@H](C)N1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of (4R,5R)-2-methoxy-4-methyl-3-(4-methylphenyl)sulfonyl-2,5-diphenyl-1,3-oxazolidine?
The InChIKey is QTAGSIXAHCIQIV-DHFLCVKNSA-N. The full InChI is InChI=1S/C24H25NO4S/c1-18-14-16-22(17-15-18)30(26,27)25-19(2)23(20-10-6-4-7-11-20)29-24(25,28-3)21-12-8-5-9-13-21/h4-17,19,23H,1-3H3/t19-,23+,24?/m1/s1.
What are the key properties of (4R,5R)-2-methoxy-4-methyl-3-(4-methylphenyl)sulfonyl-2,5-diphenyl-1,3-oxazolidine?
(4R,5R)-2-methoxy-4-methyl-3-(4-methylphenyl)sulfonyl-2,5-diphenyl-1,3-oxazolidine has a molecular weight of 423.53 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-2-methoxy-4-methyl-3-(4-methylphenyl)sulfonyl-2,5-diphenyl-1,3-oxazolidine is sourced from PubChem (CID 10895150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).