3-(4-methylphenyl)sulfonyl-5-phenyl-2-propan-2-yl-1,3-oxazolidine

C19H23NO3S — CID 135032895

IUPAC3-(4-methylphenyl)sulfonyl-5-phenyl-2-propan-2-yl-1,3-oxazolidine
SMILESCc1ccc(S(=O)(=O)N2CC(c3ccccc3)OC2C(C)C)cc1
InChIInChI=1S/C19H23NO3S/c1-14(2)19-20(13-18(23-19)16-7-5-4-6-8-16)24(21,22)17-11-9-15(3)10-12-17/h4-12,14,18-19H,13H2,1-3H3
InChIKeyMRBFPQLBAZKAMZ-UHFFFAOYSA-N
MW345.46 g/mol
LogP3.74
Rot. Bonds4

About 3-(4-methylphenyl)sulfonyl-5-phenyl-2-propan-2-yl-1,3-oxazolidine

3-(4-methylphenyl)sulfonyl-5-phenyl-2-propan-2-yl-1,3-oxazolidine (PubChem CID 135032895) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is 3-(4-methylphenyl)sulfonyl-5-phenyl-2-propan-2-yl-1,3-oxazolidine.

Molecular Properties

Compound Name3-(4-methylphenyl)sulfonyl-5-phenyl-2-propan-2-yl-1,3-oxazolidine
PubChem CID135032895
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC Name3-(4-methylphenyl)sulfonyl-5-phenyl-2-propan-2-yl-1,3-oxazolidine
SMILESCc1ccc(S(=O)(=O)N2CC(c3ccccc3)OC2C(C)C)cc1
InChIInChI=1S/C19H23NO3S/c1-14(2)19-20(13-18(23-19)16-7-5-4-6-8-16)24(21,22)17-11-9-15(3)10-12-17/h4-12,14,18-19H,13H2,1-3H3
InChIKeyMRBFPQLBAZKAMZ-UHFFFAOYSA-N
XLogP3.74
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(4-methylphenyl)sulfonyl-5-phenyl-2-propan-2-yl-1,3-oxazolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl 2-[(2S,4S)-4-benzyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]acetate
CID 53384073
(2S,3S)-2,6-dimethyl-1-[(4-pyrrolidin-1-ylsulfonylphenyl)methoxy]heptan-3-ol
CID 73055034
Benzyl 2,2-dimethyl-5-[2-(p-tolylsulfonyloxy)ethyl]oxazolidine-3-carboxylate
CID 390241
1,3-Oxazine, tetrahydro-3-((4-methylphenyl)sulfonyl)-6-(4-morpholinylmethyl)-2-phenyl-
CID 218558
4-((2,5-Difluorophenyl)sulfonyl)-2-phenylmorpholine
CID 16895232
4-((2-Fluorophenyl)sulfonyl)-2-phenylmorpholine
CID 16895234
(2S)-1-(4-methylphenyl)sulfonyl-2-(phenylmethoxymethoxymethyl)pyrrolidine
CID 171353800
4-methyl-N-(1-phenylmethoxyprop-2-enyl)-N-[2-(trifluoromethyl)prop-2-enyl]benzenesulfonamide
CID 16723812
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
(6S,10R)-10-(4-fluorophenyl)-4-(4-methylphenyl)sulfonyl-1,9-dioxa-4-azaspiro[5.5]undecane
CID 134949523

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)sulfonyl-5-phenyl-2-propan-2-yl-1,3-oxazolidine?
The IUPAC name of 3-(4-methylphenyl)sulfonyl-5-phenyl-2-propan-2-yl-1,3-oxazolidine (CID 135032895) is 3-(4-methylphenyl)sulfonyl-5-phenyl-2-propan-2-yl-1,3-oxazolidine.
What is the SMILES notation for 3-(4-methylphenyl)sulfonyl-5-phenyl-2-propan-2-yl-1,3-oxazolidine?
The canonical SMILES for 3-(4-methylphenyl)sulfonyl-5-phenyl-2-propan-2-yl-1,3-oxazolidine is Cc1ccc(S(=O)(=O)N2CC(c3ccccc3)OC2C(C)C)cc1.
What is the InChIKey of 3-(4-methylphenyl)sulfonyl-5-phenyl-2-propan-2-yl-1,3-oxazolidine?
The InChIKey is MRBFPQLBAZKAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-14(2)19-20(13-18(23-19)16-7-5-4-6-8-16)24(21,22)17-11-9-15(3)10-12-17/h4-12,14,18-19H,13H2,1-3H3.
What are the key properties of 3-(4-methylphenyl)sulfonyl-5-phenyl-2-propan-2-yl-1,3-oxazolidine?
3-(4-methylphenyl)sulfonyl-5-phenyl-2-propan-2-yl-1,3-oxazolidine has a molecular weight of 345.46 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)sulfonyl-5-phenyl-2-propan-2-yl-1,3-oxazolidine is sourced from PubChem (CID 135032895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).