4-methyl-2-methylidene-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidine

C18H19NO3S — CID 134921321

IUPAC4-methyl-2-methylidene-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidine
SMILESC=C1OC(c2ccccc2)C(C)N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H19NO3S/c1-13-9-11-17(12-10-13)23(20,21)19-14(2)18(22-15(19)3)16-7-5-4-6-8-16/h4-12,14,18H,3H2,1-2H3
InChIKeyQJPPLMKMQCDBBX-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.62
Rot. Bonds3

About 4-methyl-2-methylidene-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidine

4-methyl-2-methylidene-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidine (PubChem CID 134921321) has the molecular formula C18H19NO3S and a molecular weight of 329.42 g/mol. Its IUPAC name is 4-methyl-2-methylidene-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidine.

Molecular Properties

Compound Name4-methyl-2-methylidene-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidine
PubChem CID134921321
Molecular FormulaC18H19NO3S
Molecular Weight329.42 g/mol
Exact Mass329.11
IUPAC Name4-methyl-2-methylidene-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidine
SMILESC=C1OC(c2ccccc2)C(C)N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H19NO3S/c1-13-9-11-17(12-10-13)23(20,21)19-14(2)18(22-15(19)3)16-7-5-4-6-8-16/h4-12,14,18H,3H2,1-2H3
InChIKeyQJPPLMKMQCDBBX-UHFFFAOYSA-N
XLogP3.62
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(4-methylphenyl)sulfonyl-2-(phenylmethoxymethoxymethyl)pyrrolidine
CID 171353800
2-(4-Fluorophenyl)-4-tosylmorpholine
CID 42949939
(2R,3S)-2-(4-fluorophenyl)-6-methyl-4-(4-methylphenyl)sulfonyl-3-(2-methylpropyl)-2,3-dihydro-1,4-oxazine
CID 60154252
(2R,3S)-2-(4-fluorophenyl)-3,6-dimethyl-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-oxazine
CID 60154323
(2S)-6-(2,4-difluorophenyl)-2-ethenyl-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-oxazine
CID 138964361
(2S,4S)-2-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)sulfonyl-4-propan-2-yl-1,3-oxazolidine
CID 177856486
6-Fluoro-6-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-1,4-oxazepane
CID 178252041
4-[(4-Methylphenyl)sulfonyl]-2,6-diphenylmorpholine
CID 1216322
N-(1-hydroxy-1-phenylpropan-2-yl)-N,4-dimethylbenzenesulfonamide
CID 3456923
2-Phenyl-4-((4-propylphenyl)sulfonyl)morpholine
CID 16895241
3-(Benzenesulfonyl)-2,5-dimethyl-5-phenyl-1,3-oxazolidine
CID 23791828
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,4-dimethylbenzenesulfonamide
CID 6545162

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-methylidene-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidine?
The IUPAC name of 4-methyl-2-methylidene-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidine (CID 134921321) is 4-methyl-2-methylidene-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidine.
What is the SMILES notation for 4-methyl-2-methylidene-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidine?
The canonical SMILES for 4-methyl-2-methylidene-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidine is C=C1OC(c2ccccc2)C(C)N1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 4-methyl-2-methylidene-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidine?
The InChIKey is QJPPLMKMQCDBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3S/c1-13-9-11-17(12-10-13)23(20,21)19-14(2)18(22-15(19)3)16-7-5-4-6-8-16/h4-12,14,18H,3H2,1-2H3.
What are the key properties of 4-methyl-2-methylidene-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidine?
4-methyl-2-methylidene-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidine has a molecular weight of 329.42 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-methylidene-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidine is sourced from PubChem (CID 134921321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).