Research chemical
CAS Number: 338399-16-9
![Ethyl 5-{[({5-[({[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)methyl]-4,5-dihydro-3-isoxazolyl}carbonyl)amino]methyl}-4,5-dihydro-3-isoxazolecarboxylate molecular structure, CAS 338399-16-9](/structure-images/338399-16-9.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
5204872
Exact Mass
517.136426
InChIKey
JGYBLEIUOMVEGQ-UHFFFAOYSA-N
IUPAC Name
ethyl 5-[[[5-[[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carbonyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate
SMILES String
CCOC(=O)C1=NOC(CNC(=O)C2=NOC(CNC(=O)c3c(-c4ccccc4Cl)noc3C)C2)C1
No physical property values available.
Catalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
Ethyl 5-{[({5-[({[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)methyl]-4,5-dihydro-3-isoxazolyl}carbonyl)amino]methyl}-4,5-dihydro-3-isoxazolecarboxylate is identified by CAS 338399-16-9, with molecular formula C23H24ClN5O7, molecular weight 517.9, InChIKey JGYBLEIUOMVEGQ-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Ordering
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Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
36
H-bond acceptors
12
H-bond donors
2
Rotatable bonds
9
Ring count
4
Aromatic rings
2
Topological polar surface area
153.71 Ų
Computed LogP
2
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
n heterocycle ligand
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
Yes
Boronic acid motif
No
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Structural features
90 g/mol, PubChem CID 5204872.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for CAS identity lookup, internal catalog search, and commercial discovery workflows; structure-derived tags include nitrogen-containing heterocycle.
Documentation needs
Review supplier documentation before handling; for research use only.
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Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.