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

C21H20N4O6 — CID 25163403

IUPAC[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-[(4-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccc(C(=O)NCC(=O)OCC(=O)Nc2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C21H20N4O6/c1-2-29-16-10-8-14(9-11-16)19(28)22-12-18(27)30-13-17(26)23-21-25-24-20(31-21)15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,22,28)(H,23,25,26)
InChIKeyHRLOCQVJZZSDJP-UHFFFAOYSA-N
MW424.41 g/mol
LogP2.05
Rot. Bonds9

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

[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-[(4-ethoxybenzoyl)amino]acetate (PubChem CID 25163403) has the molecular formula C21H20N4O6 and a molecular weight of 424.41 g/mol. Its IUPAC name is [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-[(4-ethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-[(4-ethoxybenzoyl)amino]acetate
PubChem CID25163403
Molecular FormulaC21H20N4O6
Molecular Weight424.41 g/mol
Exact Mass424.14
IUPAC Name[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-[(4-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccc(C(=O)NCC(=O)OCC(=O)Nc2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C21H20N4O6/c1-2-29-16-10-8-14(9-11-16)19(28)22-12-18(27)30-13-17(26)23-21-25-24-20(31-21)15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,22,28)(H,23,25,26)
InChIKeyHRLOCQVJZZSDJP-UHFFFAOYSA-N
XLogP2.05
TPSA132.65 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.41
LogP ≤ 52.05
H-Bond Donors ≤ 52
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-[(4-ethoxybenzoyl)amino]acetate?
The IUPAC name of [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-[(4-ethoxybenzoyl)amino]acetate (CID 25163403) is [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-[(4-ethoxybenzoyl)amino]acetate.
What is the SMILES notation for [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-[(4-ethoxybenzoyl)amino]acetate?
The canonical SMILES for [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-[(4-ethoxybenzoyl)amino]acetate is CCOc1ccc(C(=O)NCC(=O)OCC(=O)Nc2nnc(-c3ccccc3)o2)cc1.
What is the InChIKey of [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-[(4-ethoxybenzoyl)amino]acetate?
The InChIKey is HRLOCQVJZZSDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O6/c1-2-29-16-10-8-14(9-11-16)19(28)22-12-18(27)30-13-17(26)23-21-25-24-20(31-21)15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,22,28)(H,23,25,26).
What are the key properties of [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-[(4-ethoxybenzoyl)amino]acetate?
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-[(4-ethoxybenzoyl)amino]acetate has a molecular weight of 424.41 g/mol, XLogP of 2.05, 9 rotatable bonds, 2 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-[(4-ethoxybenzoyl)amino]acetate is sourced from PubChem (CID 25163403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).