Tert-butyl 4-(4-(2-(o-toluidino)-4-(ethoxycarbonyl)oxazol-5-yl)phenyl)piperazine-1-carboxylate

HCID 59587602

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CCOC(=O)c1nc(Nc2ccccc2C)oc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1
InChIKey: WMIYRBXQVLIHOL-UHFFFAOYSA-N
Molecular formula: C28H34N4O5
Average molar mass: 506.6 g/mol

Names & identifiers

Preferred name: Tert-butyl 4-(4-(2-(o-toluidino)-4-(ethoxycarbonyl)oxazol-5-yl)phenyl)piperazine-1-carboxylate
IUPAC: ethyl 2-(2-methylanilino)-5-[4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]phenyl]-1,3-oxazole-4-carboxylate

Names & synonyms

SCHEMBL3127772WMIYRBXQVLIHOL-UHFFFAOYSA-Ntert-butyl 4-(4-(2-(o-toluidino)-4-(ethoxycarbonyl)oxazol-5-yl)phenyl)piperazine-1-carboxylate

Database identifiers

PubChem CID: 59587602

Properties

Computed structural properties

XLogP: 5.6
Topological polar surface area: 97.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 8
Rotatable bonds: 9
Heavy atoms: 37
Formal charge: 0
Complexity: 758

Related reactions

8 records

New reaction record

HRID 103413As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 108500As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 389761As productuspto-grants-2013_02

HRID 389762As reactantuspto-grants-2013_02

HRID 714993As productuspto-grants-2015_11

HRID 714994As reactantuspto-grants-2015_11

HRID 1410490As productuspto-grants-2014_12

HRID 1410491As reactantuspto-grants-2014_12

Compound notes

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