N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-3-oxo-4H-quinoxaline-2-carboxamide

C16H16N4O3 — CID 56714839

IUPACN-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-3-oxo-4H-quinoxaline-2-carboxamide
SMILESCCc1cc(CN(C)C(=O)c2nc3ccccc3[nH]c2=O)on1
InChIInChI=1S/C16H16N4O3/c1-3-10-8-11(23-19-10)9-20(2)16(22)14-15(21)18-13-7-5-4-6-12(13)17-14/h4-8H,3,9H2,1-2H3,(H,18,21)
InChIKeyFPGONMWSKQYEAG-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.75
Rot. Bonds4

About N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-3-oxo-4H-quinoxaline-2-carboxamide

N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-3-oxo-4H-quinoxaline-2-carboxamide (PubChem CID 56714839) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-3-oxo-4H-quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-3-oxo-4H-quinoxaline-2-carboxamide
PubChem CID56714839
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC NameN-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-3-oxo-4H-quinoxaline-2-carboxamide
SMILESCCc1cc(CN(C)C(=O)c2nc3ccccc3[nH]c2=O)on1
InChIInChI=1S/C16H16N4O3/c1-3-10-8-11(23-19-10)9-20(2)16(22)14-15(21)18-13-7-5-4-6-12(13)17-14/h4-8H,3,9H2,1-2H3,(H,18,21)
InChIKeyFPGONMWSKQYEAG-UHFFFAOYSA-N
XLogP1.75
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-3-oxo-4H-quinoxaline-2-carboxamide
CID 10444556
N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N,5-dimethyl-1H-indazole-3-carboxamide
CID 56703447
N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N,1-dimethylindole-2-carboxamide
CID 56758140
N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-2-(4-methylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 70718184
3,5-dichloro-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N,4-dimethylbenzamide
CID 72893992
N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 135921912
N-(1H-benzimidazol-2-ylmethyl)-5-[(4-ethylpiperazin-1-yl)methyl]-N-methyl-1,2-oxazole-3-carboxamide
CID 56722644
3-oxo-N-propyl-4H-quinoxaline-2-carboxamide
CID 143678915
N-[2-[[2-[(1S,2R)-2-hydroxycyclopentyl]acetyl]-methylamino]ethyl]-N-methyl-3-oxo-4H-quinoxaline-2-carboxamide
CID 166379452
N-[2-(benzimidazol-1-yl)ethyl]-N-methyl-3-oxo-4H-quinoxaline-2-carboxamide
CID 146041516
2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methylacetamide
CID 91787193
N-methyl-4-oxo-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-3H-quinazoline-2-carboxamide
CID 137255549

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-3-oxo-4H-quinoxaline-2-carboxamide?
The IUPAC name of N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-3-oxo-4H-quinoxaline-2-carboxamide (CID 56714839) is N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-3-oxo-4H-quinoxaline-2-carboxamide.
What is the SMILES notation for N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-3-oxo-4H-quinoxaline-2-carboxamide?
The canonical SMILES for N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-3-oxo-4H-quinoxaline-2-carboxamide is CCc1cc(CN(C)C(=O)c2nc3ccccc3[nH]c2=O)on1.
What is the InChIKey of N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-3-oxo-4H-quinoxaline-2-carboxamide?
The InChIKey is FPGONMWSKQYEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-3-10-8-11(23-19-10)9-20(2)16(22)14-15(21)18-13-7-5-4-6-12(13)17-14/h4-8H,3,9H2,1-2H3,(H,18,21).
What are the key properties of N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-3-oxo-4H-quinoxaline-2-carboxamide?
N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-3-oxo-4H-quinoxaline-2-carboxamide has a molecular weight of 312.33 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-3-oxo-4H-quinoxaline-2-carboxamide is sourced from PubChem (CID 56714839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).