(RS)-4-(4-iodo-phenyl)-2,2-dimethyl-oxazolidine-3-carboxylic acid tert-butyl ester

HCID 67151644

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CC(C)(C)OC(=O)N1C(c2ccc(I)cc2)COC1(C)C
InChIKey: PCQPYQYWSPZMLB-UHFFFAOYSA-N
Molecular formula: C16H22INO3
Average molar mass: 403.25 g/mol

Names & identifiers

Preferred name: (RS)-4-(4-iodo-phenyl)-2,2-dimethyl-oxazolidine-3-carboxylic acid tert-butyl ester
IUPAC: tert-butyl 4-(4-iodophenyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

Names & synonyms

SCHEMBL1760007PCQPYQYWSPZMLB-UHFFFAOYSA-N(RS)-4-(4-iodo-phenyl)-2,2-dimethyl-oxazolidine-3-carboxylic acid tert-butyl ester

Database identifiers

PubChem CID: 67151644

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 38.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 21
Formal charge: 0
Complexity: 383

Related reactions

7 records

New reaction record

HRID 92766As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 283688As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 1225277As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1805212As productuspto-grants-2013_01

HRID 1805213As reactantuspto-grants-2013_01

HRID 1805217As reactantuspto-grants-2013_01

HRID 1805237As reactantuspto-grants-2013_01

Compound notes

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