Tert-butyl 4-[4-[5-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-3-methyl-1,2-oxazol-4-yl]phenyl]piperazine-1-carboxylate

HCID 22235992

Notes Reactions

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Basic information

Standard SMILES: COC(=O)C(CC(C)C)Nc1onc(C)c1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1
InChIKey: IRHBLMBZYXRDFF-UHFFFAOYSA-N
Molecular formula: C26H38N4O5
Average molar mass: 486.6 g/mol

Names & identifiers

Preferred name: Tert-butyl 4-[4-[5-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-3-methyl-1,2-oxazol-4-yl]phenyl]piperazine-1-carboxylate
IUPAC: tert-butyl 4-[4-[5-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-3-methyl-1,2-oxazol-4-yl]phenyl]piperazine-1-carboxylate

Names & synonyms

SCHEMBL4704360

Database identifiers

PubChem CID: 22235992

Properties

Computed structural properties

XLogP: 5.1
Topological polar surface area: 97.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 8
Rotatable bonds: 10
Heavy atoms: 35
Formal charge: 0
Complexity: 696

Related reactions

2 records

New reaction record

HRID 149226 reaction equation

HRID 149226As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 829882 reaction equation

HRID 829882As reactantTest data from https://doi.org/10.1039/C8SC04228D

Compound notes

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