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

C19H18N4O5 — CID 53137161

IUPACethyl 4-[[2-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxo-1-pyridinyl]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)Cn2cc(-c3nc(C)no3)ccc2=O)cc1
InChIInChI=1S/C19H18N4O5/c1-3-27-19(26)13-4-7-15(8-5-13)21-16(24)11-23-10-14(6-9-17(23)25)18-20-12(2)22-28-18/h4-10H,3,11H2,1-2H3,(H,21,24)
InChIKeyCWTQMWWYPFODJJ-UHFFFAOYSA-N
MW382.38 g/mol
LogP2.02
Rot. Bonds6

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

ethyl 4-[[2-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxo-1-pyridinyl]acetyl]amino]benzoate (PubChem CID 53137161) has the molecular formula C19H18N4O5 and a molecular weight of 382.38 g/mol. Its IUPAC name is ethyl 4-[[2-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxo-1-pyridinyl]acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxo-1-pyridinyl]acetyl]amino]benzoate
PubChem CID53137161
Molecular FormulaC19H18N4O5
Molecular Weight382.38 g/mol
Exact Mass382.13
IUPAC Nameethyl 4-[[2-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxo-1-pyridinyl]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)Cn2cc(-c3nc(C)no3)ccc2=O)cc1
InChIInChI=1S/C19H18N4O5/c1-3-27-19(26)13-4-7-15(8-5-13)21-16(24)11-23-10-14(6-9-17(23)25)18-20-12(2)22-28-18/h4-10H,3,11H2,1-2H3,(H,21,24)
InChIKeyCWTQMWWYPFODJJ-UHFFFAOYSA-N
XLogP2.02
TPSA116.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 4-[[2-[5-(3-methyl-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-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetyl]amino]benzoate
CID 50837998
2-[5-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(4-ethoxyphenyl)acetamide
CID 51366651
2-[5-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(4-methoxyphenyl)acetamide
CID 53365723
2-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-oxo-1-pyridinyl]-N-(4-fluorophenyl)acetamide
CID 53137174
2-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-oxo-1-pyridinyl]-N-(4-ethylphenyl)acetamide
CID 53137256
ethyl 3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxo-1-pyridinyl]propanoate
CID 71794025
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-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(3-chloro-4-methylphenyl)acetamide
CID 51366710
2-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-oxo-1-pyridinyl]-N-(4-fluorophenyl)acetamide
CID 53137270
N-(3,5-dimethoxyphenyl)-2-[5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide
CID 51366790
ethyl 4-[[2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzoate
CID 41376414
2-[5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(3-methylsulfanylphenyl)acetamide
CID 46393947

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxo-1-pyridinyl]acetyl]amino]benzoate?
The IUPAC name of ethyl 4-[[2-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxo-1-pyridinyl]acetyl]amino]benzoate (CID 53137161) is ethyl 4-[[2-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxo-1-pyridinyl]acetyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[2-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxo-1-pyridinyl]acetyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[2-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxo-1-pyridinyl]acetyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)Cn2cc(-c3nc(C)no3)ccc2=O)cc1.
What is the InChIKey of ethyl 4-[[2-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxo-1-pyridinyl]acetyl]amino]benzoate?
The InChIKey is CWTQMWWYPFODJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O5/c1-3-27-19(26)13-4-7-15(8-5-13)21-16(24)11-23-10-14(6-9-17(23)25)18-20-12(2)22-28-18/h4-10H,3,11H2,1-2H3,(H,21,24).
What are the key properties of ethyl 4-[[2-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxo-1-pyridinyl]acetyl]amino]benzoate?
ethyl 4-[[2-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxo-1-pyridinyl]acetyl]amino]benzoate has a molecular weight of 382.38 g/mol, XLogP of 2.02, 6 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-methyl-1,2,4-oxadiazol-5-yl)-2-oxo-1-pyridinyl]acetyl]amino]benzoate is sourced from PubChem (CID 53137161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).