ethyl 4-[[2-[5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetyl]amino]benzoate

C24H19ClN4O5 — CID 50837998

IUPACethyl 4-[[2-[5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)Cn2cc(-c3nc(-c4ccc(Cl)cc4)no3)ccc2=O)cc1
InChIInChI=1S/C24H19ClN4O5/c1-2-33-24(32)16-5-10-19(11-6-16)26-20(30)14-29-13-17(7-12-21(29)31)23-27-22(28-34-23)15-3-8-18(25)9-4-15/h3-13H,2,14H2,1H3,(H,26,30)
InChIKeyAOQJGDPUKCDQJX-UHFFFAOYSA-N
MW478.89 g/mol
LogP4.03
Rot. Bonds7

About ethyl 4-[[2-[5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetyl]amino]benzoate

ethyl 4-[[2-[5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetyl]amino]benzoate (PubChem CID 50837998) has the molecular formula C24H19ClN4O5 and a molecular weight of 478.89 g/mol. Its IUPAC name is ethyl 4-[[2-[5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-[5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetyl]amino]benzoate
PubChem CID50837998
Molecular FormulaC24H19ClN4O5
Molecular Weight478.89 g/mol
Exact Mass478.10
IUPAC Nameethyl 4-[[2-[5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)Cn2cc(-c3nc(-c4ccc(Cl)cc4)no3)ccc2=O)cc1
InChIInChI=1S/C24H19ClN4O5/c1-2-33-24(32)16-5-10-19(11-6-16)26-20(30)14-29-13-17(7-12-21(29)31)23-27-22(28-34-23)15-3-8-18(25)9-4-15/h3-13H,2,14H2,1H3,(H,26,30)
InChIKeyAOQJGDPUKCDQJX-UHFFFAOYSA-N
XLogP4.03
TPSA116.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.89
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 4-[[2-[5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetyl]amino]benzoate with MolForge

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Related Compounds

ethyl 4-[[2-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxo-1-pyridinyl]acetyl]amino]benzoate
CID 53137161
2-[5-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(4-methoxyphenyl)acetamide
CID 53365723
2-[5-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(3-chloro-4-methylphenyl)acetamide
CID 51366710
N-(3-fluoro-4-methylphenyl)-2-[5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide
CID 46393952
2-[5-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(4-ethoxyphenyl)acetamide
CID 51366651
ethyl 4-[[2-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-2-oxo-1-pyridinyl]acetyl]amino]benzoate
CID 53091233
2-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-oxo-1-pyridinyl]-N-(4-fluorophenyl)acetamide
CID 53137174
2-[5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(3-methylsulfanylphenyl)acetamide
CID 46393947
2-[5-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(3-chlorophenyl)acetamide
CID 51366667
N-(2-methoxyphenyl)-2-[5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide
CID 46393943
2-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-oxo-1-pyridinyl]-N-(4-ethylphenyl)acetamide
CID 53137256
ethyl 4-[[2-[2-(4-chlorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetyl]amino]benzoate
CID 50795732

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-[5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetyl]amino]benzoate?
The IUPAC name of ethyl 4-[[2-[5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetyl]amino]benzoate (CID 50837998) is ethyl 4-[[2-[5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[2-[5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[2-[5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)Cn2cc(-c3nc(-c4ccc(Cl)cc4)no3)ccc2=O)cc1.
What is the InChIKey of ethyl 4-[[2-[5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetyl]amino]benzoate?
The InChIKey is AOQJGDPUKCDQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN4O5/c1-2-33-24(32)16-5-10-19(11-6-16)26-20(30)14-29-13-17(7-12-21(29)31)23-27-22(28-34-23)15-3-8-18(25)9-4-15/h3-13H,2,14H2,1H3,(H,26,30).
What are the key properties of ethyl 4-[[2-[5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetyl]amino]benzoate?
ethyl 4-[[2-[5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetyl]amino]benzoate has a molecular weight of 478.89 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-[5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetyl]amino]benzoate is sourced from PubChem (CID 50837998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).