[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-ethoxypyridine-3-carboxylate

C18H16N4O5 — CID 18077361

IUPAC[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-ethoxypyridine-3-carboxylate
SMILESCCOc1ncccc1C(=O)OCC(=O)Nc1nnc(-c2ccccc2)o1
InChIInChI=1S/C18H16N4O5/c1-2-25-16-13(9-6-10-19-16)17(24)26-11-14(23)20-18-22-21-15(27-18)12-7-4-3-5-8-12/h3-10H,2,11H2,1H3,(H,20,22,23)
InChIKeyWHIBYAZINDQJTO-UHFFFAOYSA-N
MW368.35 g/mol
LogP2.33
Rot. Bonds7

About [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-ethoxypyridine-3-carboxylate

[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-ethoxypyridine-3-carboxylate (PubChem CID 18077361) has the molecular formula C18H16N4O5 and a molecular weight of 368.35 g/mol. Its IUPAC name is [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-ethoxypyridine-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-ethoxypyridine-3-carboxylate
PubChem CID18077361
Molecular FormulaC18H16N4O5
Molecular Weight368.35 g/mol
Exact Mass368.11
IUPAC Name[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-ethoxypyridine-3-carboxylate
SMILESCCOc1ncccc1C(=O)OCC(=O)Nc1nnc(-c2ccccc2)o1
InChIInChI=1S/C18H16N4O5/c1-2-25-16-13(9-6-10-19-16)17(24)26-11-14(23)20-18-22-21-15(27-18)12-7-4-3-5-8-12/h3-10H,2,11H2,1H3,(H,20,22,23)
InChIKeyWHIBYAZINDQJTO-UHFFFAOYSA-N
XLogP2.33
TPSA116.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.35
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-ethoxypyridine-3-carboxylate?
The IUPAC name of [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-ethoxypyridine-3-carboxylate (CID 18077361) is [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-ethoxypyridine-3-carboxylate.
What is the SMILES notation for [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-ethoxypyridine-3-carboxylate?
The canonical SMILES for [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-ethoxypyridine-3-carboxylate is CCOc1ncccc1C(=O)OCC(=O)Nc1nnc(-c2ccccc2)o1.
What is the InChIKey of [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-ethoxypyridine-3-carboxylate?
The InChIKey is WHIBYAZINDQJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O5/c1-2-25-16-13(9-6-10-19-16)17(24)26-11-14(23)20-18-22-21-15(27-18)12-7-4-3-5-8-12/h3-10H,2,11H2,1H3,(H,20,22,23).
What are the key properties of [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-ethoxypyridine-3-carboxylate?
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-ethoxypyridine-3-carboxylate has a molecular weight of 368.35 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-ethoxypyridine-3-carboxylate is sourced from PubChem (CID 18077361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).