[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] quinoxaline-5-carboxylate

C15H12N4O4 — CID 23971613

IUPAC[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] quinoxaline-5-carboxylate
SMILESCc1cc(NC(=O)COC(=O)c2cccc3nccnc23)no1
InChIInChI=1S/C15H12N4O4/c1-9-7-12(19-23-9)18-13(20)8-22-15(21)10-3-2-4-11-14(10)17-6-5-16-11/h2-7H,8H2,1H3,(H,18,19,20)
InChIKeyLNKZPMCGMMBMBC-UHFFFAOYSA-N
MW312.29 g/mol
LogP1.72
Rot. Bonds4

About [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] quinoxaline-5-carboxylate

[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] quinoxaline-5-carboxylate (PubChem CID 23971613) has the molecular formula C15H12N4O4 and a molecular weight of 312.29 g/mol. Its IUPAC name is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] quinoxaline-5-carboxylate.

Molecular Properties

Compound Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] quinoxaline-5-carboxylate
PubChem CID23971613
Molecular FormulaC15H12N4O4
Molecular Weight312.29 g/mol
Exact Mass312.09
IUPAC Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] quinoxaline-5-carboxylate
SMILESCc1cc(NC(=O)COC(=O)c2cccc3nccnc23)no1
InChIInChI=1S/C15H12N4O4/c1-9-7-12(19-23-9)18-13(20)8-22-15(21)10-3-2-4-11-14(10)17-6-5-16-11/h2-7H,8H2,1H3,(H,18,19,20)
InChIKeyLNKZPMCGMMBMBC-UHFFFAOYSA-N
XLogP1.72
TPSA107.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-iodobenzoate
CID 5149355
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate
CID 18197384
3-methyl-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethoxy]benzoic acid
CID 60910796
[2-[4-(acetylsulfamoyl)anilino]-2-oxoethyl] quinoxaline-5-carboxylate
CID 25039801
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2,5-dimethoxybenzoate
CID 7561076
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate
CID 8825162
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-methylindole-3-carboxylate
CID 8816511
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 2500864
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 2625138
[2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]ethyl] quinoxaline-5-carboxylate
CID 23744438
2-[3-(aminomethyl)phenoxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 106485131
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate
CID 4848044

Frequently Asked Questions

What is the IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] quinoxaline-5-carboxylate?
The IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] quinoxaline-5-carboxylate (CID 23971613) is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] quinoxaline-5-carboxylate.
What is the SMILES notation for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] quinoxaline-5-carboxylate?
The canonical SMILES for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] quinoxaline-5-carboxylate is Cc1cc(NC(=O)COC(=O)c2cccc3nccnc23)no1.
What is the InChIKey of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] quinoxaline-5-carboxylate?
The InChIKey is LNKZPMCGMMBMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O4/c1-9-7-12(19-23-9)18-13(20)8-22-15(21)10-3-2-4-11-14(10)17-6-5-16-11/h2-7H,8H2,1H3,(H,18,19,20).
What are the key properties of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] quinoxaline-5-carboxylate?
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] quinoxaline-5-carboxylate has a molecular weight of 312.29 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] quinoxaline-5-carboxylate is sourced from PubChem (CID 23971613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).