4-{4-[3-(Isobutyrylamino)phenyl]-1-piperidinyl}butyl 5-methyl-3-phenyl-4-isoxazolecarboxylate

HCID 22048639
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Basic information

Standard SMILES
Cc1onc(-c2ccccc2)c1C(=O)OCCCCN1CCC(c2cccc(NC(=O)C(C)C)c2)CC1
InChIKey
FGEGOFCJCUFCGX-UHFFFAOYSA-N
Molecular formula
C30H37N3O4
Average molar mass
503.6 g/mol

Names & identifiers

Preferred name
4-{4-[3-(Isobutyrylamino)phenyl]-1-piperidinyl}butyl 5-methyl-3-phenyl-4-isoxazolecarboxylate
IUPAC
4-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]butyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate

Names & synonyms

FGEGOFCJCUFCGX-UHFFFAOYSA-N4-{4-[3-(ISOBUTYRYLAMINO)PHENYL]-1-PIPERIDINYL}BUTYL 5-METHYL-3-PHENYL-4-ISOXAZOLECARBOXYLATE

Database identifiers

PubChem CID
22048639

Properties

Computed structural properties

XLogP
5.5
Topological polar surface area
84.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
11
Heavy atoms
37

Related reactions

3 records
New reaction record

Compound notes

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