Methyl 4-(4-{[(4-tert-Butylphenyl)sulfonyl]methyl}-5-methyl-1,3-oxazol-2-yl)benzoate

HCID 68278317
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Basic information

Standard SMILES
COC(=O)c1ccc(-c2nc(CS(=O)(=O)c3ccc(C(C)(C)C)cc3)c(C)o2)cc1
InChIKey
HGAWGNLSMBVSQD-UHFFFAOYSA-N
Molecular formula
C23H25NO5S
Average molar mass
427.5 g/mol
Monoisotopic mass
427.14534407

Names & identifiers

Preferred name
Methyl 4-(4-{[(4-tert-Butylphenyl)sulfonyl]methyl}-5-methyl-1,3-oxazol-2-yl)benzoate
IUPAC
methyl 4-[4-[(4-tert-butylphenyl)sulfonylmethyl]-5-methyl-1,3-oxazol-2-yl]benzoate

Names & synonyms

SCHEMBL12469291HGAWGNLSMBVSQD-UHFFFAOYSA-NMethyl 4-(4-{[(4-tert-Butylphenyl)sulfonyl]methyl}-5-methyl-1,3-oxazol-2-yl)benzoate

Database identifiers

PubChem CID
68278317

Properties

Computed structural properties

XLogP
4.7
Topological polar surface area
94.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
7
Heavy atoms
30

Related reactions

3 records
New reaction record

Compound notes

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