Methyl 2-(3-(4-(3-(2,4-difluorophenyl) ureido)phenyl)-1,2,4-oxadiazole-5-carboxamido)-3-methylbutanoate

HCID 67354586
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Basic information

Standard SMILES
COC(=O)C(NC(=O)c1nc(-c2ccc(NC(=O)Nc3ccc(F)cc3F)cc2)no1)C(C)C
InChIKey
BVLKLZRWYJBYFP-UHFFFAOYSA-N
Molecular formula
C22H21F2N5O5
Average molar mass
473.4 g/mol

Names & identifiers

Preferred name
Methyl 2-(3-(4-(3-(2,4-difluorophenyl) ureido)phenyl)-1,2,4-oxadiazole-5-carboxamido)-3-methylbutanoate
IUPAC
methyl 2-[[3-[4-[(2,4-difluorophenyl)carbamoylamino]phenyl]-1,2,4-oxadiazole-5-carbonyl]amino]-3-methylbutanoate

Names & synonyms

SCHEMBL2299047BVLKLZRWYJBYFP-UHFFFAOYSA-NMethyl 2-(3-(4-(3-(2,4-difluorophenyl) ureido)phenyl)-1,2,4-oxadiazole-5-carboxamido)-3-methylbutanoate

Database identifiers

PubChem CID
67354586

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
135 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
9
Rotatable bonds
8
Heavy atoms
34

Related reactions

2 records
New reaction record

Compound notes

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