ethyl 5-[[[2-(2-oxo-1-pyridinyl)-1-phenylethyl]amino]methyl]-1,2,4-oxadiazole-3-carboxylate

C19H20N4O4 — CID 155964097

IUPACethyl 5-[[[2-(2-oxo-1-pyridinyl)-1-phenylethyl]amino]methyl]-1,2,4-oxadiazole-3-carboxylate
SMILESCCOC(=O)c1noc(CNC(Cn2ccccc2=O)c2ccccc2)n1
InChIInChI=1S/C19H20N4O4/c1-2-26-19(25)18-21-16(27-22-18)12-20-15(14-8-4-3-5-9-14)13-23-11-7-6-10-17(23)24/h3-11,15,20H,2,12-13H2,1H3
InChIKeyULGHHODHSXFABH-UHFFFAOYSA-N
MW368.39 g/mol
LogP1.94
Rot. Bonds8

About ethyl 5-[[[2-(2-oxo-1-pyridinyl)-1-phenylethyl]amino]methyl]-1,2,4-oxadiazole-3-carboxylate

ethyl 5-[[[2-(2-oxo-1-pyridinyl)-1-phenylethyl]amino]methyl]-1,2,4-oxadiazole-3-carboxylate (PubChem CID 155964097) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is ethyl 5-[[[2-(2-oxo-1-pyridinyl)-1-phenylethyl]amino]methyl]-1,2,4-oxadiazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[[2-(2-oxo-1-pyridinyl)-1-phenylethyl]amino]methyl]-1,2,4-oxadiazole-3-carboxylate
PubChem CID155964097
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC Nameethyl 5-[[[2-(2-oxo-1-pyridinyl)-1-phenylethyl]amino]methyl]-1,2,4-oxadiazole-3-carboxylate
SMILESCCOC(=O)c1noc(CNC(Cn2ccccc2=O)c2ccccc2)n1
InChIInChI=1S/C19H20N4O4/c1-2-26-19(25)18-21-16(27-22-18)12-20-15(14-8-4-3-5-9-14)13-23-11-7-6-10-17(23)24/h3-11,15,20H,2,12-13H2,1H3
InChIKeyULGHHODHSXFABH-UHFFFAOYSA-N
XLogP1.94
TPSA99.25 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[[2-(2-oxo-1-pyridinyl)-1-phenylethyl]amino]methyl]-1,2,4-oxadiazole-3-carboxylate?
The IUPAC name of ethyl 5-[[[2-(2-oxo-1-pyridinyl)-1-phenylethyl]amino]methyl]-1,2,4-oxadiazole-3-carboxylate (CID 155964097) is ethyl 5-[[[2-(2-oxo-1-pyridinyl)-1-phenylethyl]amino]methyl]-1,2,4-oxadiazole-3-carboxylate.
What is the SMILES notation for ethyl 5-[[[2-(2-oxo-1-pyridinyl)-1-phenylethyl]amino]methyl]-1,2,4-oxadiazole-3-carboxylate?
The canonical SMILES for ethyl 5-[[[2-(2-oxo-1-pyridinyl)-1-phenylethyl]amino]methyl]-1,2,4-oxadiazole-3-carboxylate is CCOC(=O)c1noc(CNC(Cn2ccccc2=O)c2ccccc2)n1.
What is the InChIKey of ethyl 5-[[[2-(2-oxo-1-pyridinyl)-1-phenylethyl]amino]methyl]-1,2,4-oxadiazole-3-carboxylate?
The InChIKey is ULGHHODHSXFABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-2-26-19(25)18-21-16(27-22-18)12-20-15(14-8-4-3-5-9-14)13-23-11-7-6-10-17(23)24/h3-11,15,20H,2,12-13H2,1H3.
What are the key properties of ethyl 5-[[[2-(2-oxo-1-pyridinyl)-1-phenylethyl]amino]methyl]-1,2,4-oxadiazole-3-carboxylate?
ethyl 5-[[[2-(2-oxo-1-pyridinyl)-1-phenylethyl]amino]methyl]-1,2,4-oxadiazole-3-carboxylate has a molecular weight of 368.39 g/mol, XLogP of 1.94, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[[2-(2-oxo-1-pyridinyl)-1-phenylethyl]amino]methyl]-1,2,4-oxadiazole-3-carboxylate is sourced from PubChem (CID 155964097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).