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

C15H13N3O5 — CID 2572735

IUPAC[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 5-methyl-1,2-oxazole-3-carboxylate
SMILESCc1cc(C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)no1
InChIInChI=1S/C15H13N3O5/c1-9-6-11(17-23-9)15(21)22-8-14(20)18-7-13(19)16-10-4-2-3-5-12(10)18/h2-6H,7-8H2,1H3,(H,16,19)
InChIKeyOAVSWYDSNJYSRK-UHFFFAOYSA-N
MW315.29 g/mol
LogP1.13
Rot. Bonds3

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

[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 5-methyl-1,2-oxazole-3-carboxylate (PubChem CID 2572735) has the molecular formula C15H13N3O5 and a molecular weight of 315.29 g/mol. Its IUPAC name is [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 5-methyl-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 5-methyl-1,2-oxazole-3-carboxylate
PubChem CID2572735
Molecular FormulaC15H13N3O5
Molecular Weight315.29 g/mol
Exact Mass315.09
IUPAC Name[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 5-methyl-1,2-oxazole-3-carboxylate
SMILESCc1cc(C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)no1
InChIInChI=1S/C15H13N3O5/c1-9-6-11(17-23-9)15(21)22-8-14(20)18-7-13(19)16-10-4-2-3-5-12(10)18/h2-6H,7-8H2,1H3,(H,16,19)
InChIKeyOAVSWYDSNJYSRK-UHFFFAOYSA-N
XLogP1.13
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 5-methyl-1,2-oxazole-3-carboxylate?
The IUPAC name of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 5-methyl-1,2-oxazole-3-carboxylate (CID 2572735) is [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 5-methyl-1,2-oxazole-3-carboxylate.
What is the SMILES notation for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 5-methyl-1,2-oxazole-3-carboxylate?
The canonical SMILES for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 5-methyl-1,2-oxazole-3-carboxylate is Cc1cc(C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)no1.
What is the InChIKey of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 5-methyl-1,2-oxazole-3-carboxylate?
The InChIKey is OAVSWYDSNJYSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O5/c1-9-6-11(17-23-9)15(21)22-8-14(20)18-7-13(19)16-10-4-2-3-5-12(10)18/h2-6H,7-8H2,1H3,(H,16,19).
What are the key properties of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 5-methyl-1,2-oxazole-3-carboxylate?
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 5-methyl-1,2-oxazole-3-carboxylate has a molecular weight of 315.29 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 5-methyl-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 2572735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).