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

C19H17N3O5 — CID 8606577

IUPAC[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-ethoxybenzoate
SMILESCCOc1ccccc1C(=O)OCC(=O)Nc1nnc(-c2ccccc2)o1
InChIInChI=1S/C19H17N3O5/c1-2-25-15-11-7-6-10-14(15)18(24)26-12-16(23)20-19-22-21-17(27-19)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3,(H,20,22,23)
InChIKeyROEJATHVTIRQFX-UHFFFAOYSA-N
MW367.36 g/mol
LogP2.93
Rot. Bonds7

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

[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-ethoxybenzoate (PubChem CID 8606577) has the molecular formula C19H17N3O5 and a molecular weight of 367.36 g/mol. Its IUPAC name is [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-ethoxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-ethoxybenzoate
PubChem CID8606577
Molecular FormulaC19H17N3O5
Molecular Weight367.36 g/mol
Exact Mass367.12
IUPAC Name[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-ethoxybenzoate
SMILESCCOc1ccccc1C(=O)OCC(=O)Nc1nnc(-c2ccccc2)o1
InChIInChI=1S/C19H17N3O5/c1-2-25-15-11-7-6-10-14(15)18(24)26-12-16(23)20-19-22-21-17(27-19)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3,(H,20,22,23)
InChIKeyROEJATHVTIRQFX-UHFFFAOYSA-N
XLogP2.93
TPSA103.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-ethoxybenzoate?
The IUPAC name of [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-ethoxybenzoate (CID 8606577) is [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-ethoxybenzoate.
What is the SMILES notation for [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-ethoxybenzoate?
The canonical SMILES for [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-ethoxybenzoate is CCOc1ccccc1C(=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-ethoxybenzoate?
The InChIKey is ROEJATHVTIRQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O5/c1-2-25-15-11-7-6-10-14(15)18(24)26-12-16(23)20-19-22-21-17(27-19)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3,(H,20,22,23).
What are the key properties of [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-ethoxybenzoate?
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-ethoxybenzoate has a molecular weight of 367.36 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 7 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-ethoxybenzoate is sourced from PubChem (CID 8606577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).