[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate

C18H19N3O5 — CID 27959892

IUPAC[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate
SMILESCc1noc(C)c1CC(=O)O[C@@H](C)C(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C18H19N3O5/c1-10-13(11(2)26-20-10)8-17(23)25-12(3)18(24)21-9-16(22)19-14-6-4-5-7-15(14)21/h4-7,12H,8-9H2,1-3H3,(H,19,22)/t12-/m0/s1
InChIKeyYESSLUPFHGCBBQ-LBPRGKRZSA-N
MW357.37 g/mol
LogP1.75
Rot. Bonds4

About [(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate

[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate (PubChem CID 27959892) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is [(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate.

Molecular Properties

Compound Name[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate
PubChem CID27959892
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC Name[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate
SMILESCc1noc(C)c1CC(=O)O[C@@H](C)C(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C18H19N3O5/c1-10-13(11(2)26-20-10)8-17(23)25-12(3)18(24)21-9-16(22)19-14-6-4-5-7-15(14)21/h4-7,12H,8-9H2,1-3H3,(H,19,22)/t12-/m0/s1
InChIKeyYESSLUPFHGCBBQ-LBPRGKRZSA-N
XLogP1.75
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate?
The IUPAC name of [(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate (CID 27959892) is [(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate.
What is the SMILES notation for [(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate?
The canonical SMILES for [(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate is Cc1noc(C)c1CC(=O)O[C@@H](C)C(=O)N1CC(=O)Nc2ccccc21.
What is the InChIKey of [(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate?
The InChIKey is YESSLUPFHGCBBQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H19N3O5/c1-10-13(11(2)26-20-10)8-17(23)25-12(3)18(24)21-9-16(22)19-14-6-4-5-7-15(14)21/h4-7,12H,8-9H2,1-3H3,(H,19,22)/t12-/m0/s1.
What are the key properties of [(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate?
[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate has a molecular weight of 357.37 g/mol, XLogP of 1.75, 4 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] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate is sourced from PubChem (CID 27959892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).