[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate

C16H15N3O5 — CID 9383608

IUPAC[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate
SMILESCc1cc(C(=O)O[C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)on1
InChIInChI=1S/C16H15N3O5/c1-9-7-13(24-18-9)16(22)23-10(2)15(21)19-8-14(20)17-11-5-3-4-6-12(11)19/h3-7,10H,8H2,1-2H3,(H,17,20)/t10-/m0/s1
InChIKeyWFXONNMBLZBPGC-JTQLQIEISA-N
MW329.31 g/mol
LogP1.51
Rot. Bonds3

About [(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate

[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate (PubChem CID 9383608) has the molecular formula C16H15N3O5 and a molecular weight of 329.31 g/mol. Its IUPAC name is [(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Name[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate
PubChem CID9383608
Molecular FormulaC16H15N3O5
Molecular Weight329.31 g/mol
Exact Mass329.10
IUPAC Name[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate
SMILESCc1cc(C(=O)O[C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)on1
InChIInChI=1S/C16H15N3O5/c1-9-7-13(24-18-9)16(22)23-10(2)15(21)19-8-14(20)17-11-5-3-4-6-12(11)19/h3-7,10H,8H2,1-2H3,(H,17,20)/t10-/m0/s1
InChIKeyWFXONNMBLZBPGC-JTQLQIEISA-N
XLogP1.51
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate with MolForge

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Related Compounds

[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 2-hydroxy-5-methylbenzoate
CID 8958658
[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 3-fluoro-4-methylbenzoate
CID 9387141
[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 4-propoxybenzoate
CID 8736332
[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 2-amino-4-fluorobenzoate
CID 27998213
[1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 3-methyl-4-oxophthalazine-1-carboxylate
CID 45351272
[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 2-(2-fluorophenyl)acetate
CID 8958195
[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 2-(2-fluorophenyl)acetate
CID 8958193
4-(2-bromopropanoyl)-1,3-dihydroquinoxalin-2-one
CID 107902910
[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 1H-indole-3-carboxylate
CID 9382321
[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 2-ethylsulfanylbenzoate
CID 8959416
[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] quinoline-8-carboxylate
CID 9061813
[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate
CID 8881667

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate?
The IUPAC name of [(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate (CID 9383608) is [(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate.
What is the SMILES notation for [(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate?
The canonical SMILES for [(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate is Cc1cc(C(=O)O[C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)on1.
What is the InChIKey of [(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate?
The InChIKey is WFXONNMBLZBPGC-JTQLQIEISA-N. The full InChI is InChI=1S/C16H15N3O5/c1-9-7-13(24-18-9)16(22)23-10(2)15(21)19-8-14(20)17-11-5-3-4-6-12(11)19/h3-7,10H,8H2,1-2H3,(H,17,20)/t10-/m0/s1.
What are the key properties of [(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate?
[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate has a molecular weight of 329.31 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 9383608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).