4-(5-Methyl-2-phenyl-oxazol-4-ylmethoxy)-benzenesulfonyl chloride

HCID 21090679

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 532958-73-9
Standard SMILES: Cc1oc(-c2ccccc2)nc1COc1ccc(S(=O)(=O)Cl)cc1
InChIKey: CHPQCWXIFZONFE-UHFFFAOYSA-N
Molecular formula: C17H14ClNO4S
Average molar mass: 363.8 g/mol
Monoisotopic mass: 363.0332068

Names & identifiers

Preferred name: 4-(5-Methyl-2-phenyl-oxazol-4-ylmethoxy)-benzenesulfonyl chloride
IUPAC: 4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]benzenesulfonyl chloride

Names & synonyms

532958-73-94-(5-methyl-2-phenyl-oxazol-4-ylmethoxy)-benzenesulfonyl chlorideSCHEMBL1586389DTXSID30610671CHPQCWXIFZONFE-UHFFFAOYSA-NDB-3397684-[(5-Methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]benzene-1-sulfonyl chloride

Database identifiers

CAS: 532958-73-9
PubChem CID: 21090679
DTXSID: DTXSID30610671

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 77.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 24
Formal charge: 0
Complexity: 495

Related reactions

10 records

New reaction record

HRID 119370As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 282114As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 290788As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 351021As productuspto-grants-2007_02

HRID 351022As reactantuspto-grants-2007_02

HRID 494370As reactantuspto-grants-2009_05

HRID 643984As productuspto-grants-2010_04

HRID 643985As reactantuspto-grants-2010_04

Compound notes

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