4-[[4-(benzenesulfonyl)phenoxy]methyl]-2-(4-methylphenyl)-1,3-oxazole

C23H19NO4S — CID 51117274

IUPAC4-[[4-(benzenesulfonyl)phenoxy]methyl]-2-(4-methylphenyl)-1,3-oxazole
SMILESCc1ccc(-c2nc(COc3ccc(S(=O)(=O)c4ccccc4)cc3)co2)cc1
InChIInChI=1S/C23H19NO4S/c1-17-7-9-18(10-8-17)23-24-19(16-28-23)15-27-20-11-13-22(14-12-20)29(25,26)21-5-3-2-4-6-21/h2-14,16H,15H2,1H3
InChIKeyDJLQMAPEARBRHQ-UHFFFAOYSA-N
MW405.48 g/mol
LogP5.06
Rot. Bonds6

About 4-[[4-(benzenesulfonyl)phenoxy]methyl]-2-(4-methylphenyl)-1,3-oxazole

4-[[4-(benzenesulfonyl)phenoxy]methyl]-2-(4-methylphenyl)-1,3-oxazole (PubChem CID 51117274) has the molecular formula C23H19NO4S and a molecular weight of 405.48 g/mol. Its IUPAC name is 4-[[4-(benzenesulfonyl)phenoxy]methyl]-2-(4-methylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name4-[[4-(benzenesulfonyl)phenoxy]methyl]-2-(4-methylphenyl)-1,3-oxazole
PubChem CID51117274
Molecular FormulaC23H19NO4S
Molecular Weight405.48 g/mol
Exact Mass405.10
IUPAC Name4-[[4-(benzenesulfonyl)phenoxy]methyl]-2-(4-methylphenyl)-1,3-oxazole
SMILESCc1ccc(-c2nc(COc3ccc(S(=O)(=O)c4ccccc4)cc3)co2)cc1
InChIInChI=1S/C23H19NO4S/c1-17-7-9-18(10-8-17)23-24-19(16-28-23)15-27-20-11-13-22(14-12-20)29(25,26)21-5-3-2-4-6-21/h2-14,16H,15H2,1H3
InChIKeyDJLQMAPEARBRHQ-UHFFFAOYSA-N
XLogP5.06
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.48
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylphenyl)-4-[(4-methylsulfonylphenoxy)methyl]-1,3-oxazole
CID 47023809
2-phenyl-4-[(4-propoxyphenoxy)methyl]-1,3-oxazole
CID 112787746
4-[(4-nitrophenoxy)methyl]-2-phenyl-1,3-oxazole
CID 18171386
4-[(3,4-dimethylphenoxy)methyl]-2-phenyl-1,3-oxazole
CID 112787327
4-[(2-methyl-3-pyridinyl)oxymethyl]-2-(4-methylsulfonylphenyl)-1,3-oxazole
CID 86787021
2-(4-methylphenyl)-4-[(2-propoxyphenoxy)methyl]-1,3-oxazole
CID 55542490
4-[(4-cyclobutylphenoxy)methyl]-2-phenyl-1,3-oxazole
CID 166351524
4-[(4-methoxy-2-nitrophenoxy)methyl]-2-(4-methylphenyl)-1,3-oxazole
CID 24666676
2-(4-ethoxyphenyl)-4-(4-methylphenyl)sulfonyl-N-phenyl-1,3-oxazol-5-amine
CID 18826150
[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 55542062
(2R)-1-[[4-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 69201573
4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]benzaldehyde
CID 32563257

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(benzenesulfonyl)phenoxy]methyl]-2-(4-methylphenyl)-1,3-oxazole?
The IUPAC name of 4-[[4-(benzenesulfonyl)phenoxy]methyl]-2-(4-methylphenyl)-1,3-oxazole (CID 51117274) is 4-[[4-(benzenesulfonyl)phenoxy]methyl]-2-(4-methylphenyl)-1,3-oxazole.
What is the SMILES notation for 4-[[4-(benzenesulfonyl)phenoxy]methyl]-2-(4-methylphenyl)-1,3-oxazole?
The canonical SMILES for 4-[[4-(benzenesulfonyl)phenoxy]methyl]-2-(4-methylphenyl)-1,3-oxazole is Cc1ccc(-c2nc(COc3ccc(S(=O)(=O)c4ccccc4)cc3)co2)cc1.
What is the InChIKey of 4-[[4-(benzenesulfonyl)phenoxy]methyl]-2-(4-methylphenyl)-1,3-oxazole?
The InChIKey is DJLQMAPEARBRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO4S/c1-17-7-9-18(10-8-17)23-24-19(16-28-23)15-27-20-11-13-22(14-12-20)29(25,26)21-5-3-2-4-6-21/h2-14,16H,15H2,1H3.
What are the key properties of 4-[[4-(benzenesulfonyl)phenoxy]methyl]-2-(4-methylphenyl)-1,3-oxazole?
4-[[4-(benzenesulfonyl)phenoxy]methyl]-2-(4-methylphenyl)-1,3-oxazole has a molecular weight of 405.48 g/mol, XLogP of 5.06, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(benzenesulfonyl)phenoxy]methyl]-2-(4-methylphenyl)-1,3-oxazole is sourced from PubChem (CID 51117274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).