RWM

(5S)-5-methyl-5-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidine-2,4-dione

Created:	2020-02-27
Last modified:	2020-07-08

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1 entries where RWM is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	34
Chiral Atom Count	1
Bond Count	36
Aromatic Bond Count	11

2D diagram of RWM

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Chemical Component Summary
Name	(5S)-5-methyl-5-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidine-2,4-dione
Systematic Name (OpenEye OEToolkits)	(5~{S})-5-methyl-5-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidine-2,4-dione
Formula	C₁₅ H₁₄ N₂ O₃
Molecular Weight	270.283
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n2c(cc(CC1(C)NC(CC1=O)=O)o2)c3ccccc3
SMILES	CACTVS	3.385	C[C]1(Cc2onc(c2)c3ccccc3)NC(=O)CC1=O
SMILES	OpenEye OEToolkits	2.0.6	CC1(C(=O)CC(=O)N1)Cc2cc(no2)c3ccccc3
Canonical SMILES	CACTVS	3.385	C[C@@]1(Cc2onc(c2)c3ccccc3)NC(=O)CC1=O
Canonical SMILES	OpenEye OEToolkits	2.0.6	C[C@@]1(C(=O)CC(=O)N1)Cc2cc(no2)c3ccccc3
InChI	InChI	1.03	InChI=1S/C15H14N2O3/c1-15(13(18)8-14(19)16-15)9-11-7-12(17-20-11)10-5-3-2-4-6-10/h2-7H,8-9H2,1H3,(H,16,19)/t15-/m0/s1
InChIKey	InChI	1.03	QYMOUPYIBHTJEC-HNNXBMFYSA-N

Related Resource References

Resource Name	Reference
PubChem	146673467

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.