[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate

C20H17N3O5S — CID 55998672

IUPAC[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate
SMILESCc1oc(-c2cccs2)nc1CC(=O)OCC(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C20H17N3O5S/c1-12-14(22-20(28-12)16-7-4-8-29-16)9-19(26)27-11-18(25)23-10-17(24)21-13-5-2-3-6-15(13)23/h2-8H,9-11H2,1H3,(H,21,24)
InChIKeyUOMJQVSATXGWFD-UHFFFAOYSA-N
MW411.44 g/mol
LogP2.78
Rot. Bonds5

About [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate

[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate (PubChem CID 55998672) has the molecular formula C20H17N3O5S and a molecular weight of 411.44 g/mol. Its IUPAC name is [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate.

Molecular Properties

Compound Name[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate
PubChem CID55998672
Molecular FormulaC20H17N3O5S
Molecular Weight411.44 g/mol
Exact Mass411.09
IUPAC Name[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate
SMILESCc1oc(-c2cccs2)nc1CC(=O)OCC(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C20H17N3O5S/c1-12-14(22-20(28-12)16-7-4-8-29-16)9-19(26)27-11-18(25)23-10-17(24)21-13-5-2-3-6-15(13)23/h2-8H,9-11H2,1H3,(H,21,24)
InChIKeyUOMJQVSATXGWFD-UHFFFAOYSA-N
XLogP2.78
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.44
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 8711231
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CID 8719306
CID 8719306
CID 8719307
CID 8719307
CID 9197707
CID 9197707
CID 9197708
CID 9197708
CID 9250517
CID 9250517
CID 9250518
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CID 9253171
CID 9253171

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate?
The IUPAC name of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate (CID 55998672) is [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate.
What is the SMILES notation for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate?
The canonical SMILES for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate is Cc1oc(-c2cccs2)nc1CC(=O)OCC(=O)N1CC(=O)Nc2ccccc21.
What is the InChIKey of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate?
The InChIKey is UOMJQVSATXGWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O5S/c1-12-14(22-20(28-12)16-7-4-8-29-16)9-19(26)27-11-18(25)23-10-17(24)21-13-5-2-3-6-15(13)23/h2-8H,9-11H2,1H3,(H,21,24).
What are the key properties of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate?
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate has a molecular weight of 411.44 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate is sourced from PubChem (CID 55998672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).