4-(2-Oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)benzoic acid

HCID 67381069

Substructure search Find similar structures

Basic information

Standard SMILES: CC(C)C1COC(=O)N1c1ccc(C(=O)O)cc1
InChIKey: LGZNLYPDHAPFNO-UHFFFAOYSA-N
Molecular formula: C13H15NO4
Average molar mass: 249.26 g/mol
Monoisotopic mass: 249.10010796

Names & identifiers

Preferred name: 4-(2-Oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)benzoic acid
IUPAC: 4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)benzoic acid

Names & synonyms

SCHEMBL2366332

Database identifiers

PubChem CID: 67381069

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 66.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 18
Formal charge: 0
Complexity: 334

Related reactions

6 records

New reaction record

HRID 105781 reaction equation

HRID 105781As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 185512 reaction equation

HRID 185512As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 679837 reaction equation

HRID 679837As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1202561 reaction equation

HRID 1202561As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1548398 reaction equation

HRID 1548398As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 2338553 reaction equation

HRID 2338553As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Linked notes

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