ethyl 1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-4-oxo-5-phenoxypyridine-3-carboxylate

C19H19N3O6 — CID 50953951

IUPACethyl 1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-4-oxo-5-phenoxypyridine-3-carboxylate
SMILESCCOC(=O)c1cn(Cc2noc(COC)n2)cc(Oc2ccccc2)c1=O
InChIInChI=1S/C19H19N3O6/c1-3-26-19(24)14-9-22(11-16-20-17(12-25-2)28-21-16)10-15(18(14)23)27-13-7-5-4-6-8-13/h4-10H,3,11-12H2,1-2H3
InChIKeyYVFUPPKXSJGEKM-UHFFFAOYSA-N
MW385.38 g/mol
LogP2.39
Rot. Bonds8

About ethyl 1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-4-oxo-5-phenoxypyridine-3-carboxylate

ethyl 1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-4-oxo-5-phenoxypyridine-3-carboxylate (PubChem CID 50953951) has the molecular formula C19H19N3O6 and a molecular weight of 385.38 g/mol. Its IUPAC name is ethyl 1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-4-oxo-5-phenoxypyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-4-oxo-5-phenoxypyridine-3-carboxylate
PubChem CID50953951
Molecular FormulaC19H19N3O6
Molecular Weight385.38 g/mol
Exact Mass385.13
IUPAC Nameethyl 1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-4-oxo-5-phenoxypyridine-3-carboxylate
SMILESCCOC(=O)c1cn(Cc2noc(COC)n2)cc(Oc2ccccc2)c1=O
InChIInChI=1S/C19H19N3O6/c1-3-26-19(24)14-9-22(11-16-20-17(12-25-2)28-21-16)10-15(18(14)23)27-13-7-5-4-6-8-13/h4-10H,3,11-12H2,1-2H3
InChIKeyYVFUPPKXSJGEKM-UHFFFAOYSA-N
XLogP2.39
TPSA105.68 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.38
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze ethyl 1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-4-oxo-5-phenoxypyridine-3-carboxylate with MolForge

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Related Compounds

ethyl 4-oxo-5-phenoxy-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxylate
CID 50953996
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CID 50970913
ethyl 1-[(2S)-2-hydroxy-2-phenylethyl]-4-oxo-5-phenoxypyridine-3-carboxylate
CID 95141530
1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-oxo-5-phenoxypyridine-3-carboxylic acid
CID 50972951
N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-phenoxybenzamide
CID 91784694
4-benzyl-1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-one
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CID 35481608
2-fluoro-N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide
CID 91917633
(3-ethyl-1,2,4-oxadiazol-5-yl)methyl 3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 55539659
diethyl 3,6-dioxo-2,5-diphenoxycyclohexa-1,4-diene-1,4-dicarboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-4-oxo-5-phenoxypyridine-3-carboxylate?
The IUPAC name of ethyl 1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-4-oxo-5-phenoxypyridine-3-carboxylate (CID 50953951) is ethyl 1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-4-oxo-5-phenoxypyridine-3-carboxylate.
What is the SMILES notation for ethyl 1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-4-oxo-5-phenoxypyridine-3-carboxylate?
The canonical SMILES for ethyl 1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-4-oxo-5-phenoxypyridine-3-carboxylate is CCOC(=O)c1cn(Cc2noc(COC)n2)cc(Oc2ccccc2)c1=O.
What is the InChIKey of ethyl 1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-4-oxo-5-phenoxypyridine-3-carboxylate?
The InChIKey is YVFUPPKXSJGEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O6/c1-3-26-19(24)14-9-22(11-16-20-17(12-25-2)28-21-16)10-15(18(14)23)27-13-7-5-4-6-8-13/h4-10H,3,11-12H2,1-2H3.
What are the key properties of ethyl 1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-4-oxo-5-phenoxypyridine-3-carboxylate?
ethyl 1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-4-oxo-5-phenoxypyridine-3-carboxylate has a molecular weight of 385.38 g/mol, XLogP of 2.39, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-4-oxo-5-phenoxypyridine-3-carboxylate is sourced from PubChem (CID 50953951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).