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

C23H17N3O5 — CID 2127774

IUPAC[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 4-phenoxybenzoate
SMILESO=C(COC(=O)c1ccc(Oc2ccccc2)cc1)Nc1nnc(-c2ccccc2)o1
InChIInChI=1S/C23H17N3O5/c27-20(24-23-26-25-21(31-23)16-7-3-1-4-8-16)15-29-22(28)17-11-13-19(14-12-17)30-18-9-5-2-6-10-18/h1-14H,15H2,(H,24,26,27)
InChIKeyCFKJLFIEBHBVKA-UHFFFAOYSA-N
MW415.41 g/mol
LogP4.32
Rot. Bonds7

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

[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 4-phenoxybenzoate (PubChem CID 2127774) has the molecular formula C23H17N3O5 and a molecular weight of 415.41 g/mol. Its IUPAC name is [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 4-phenoxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 4-phenoxybenzoate
PubChem CID2127774
Molecular FormulaC23H17N3O5
Molecular Weight415.41 g/mol
Exact Mass415.12
IUPAC Name[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 4-phenoxybenzoate
SMILESO=C(COC(=O)c1ccc(Oc2ccccc2)cc1)Nc1nnc(-c2ccccc2)o1
InChIInChI=1S/C23H17N3O5/c27-20(24-23-26-25-21(31-23)16-7-3-1-4-8-16)15-29-22(28)17-11-13-19(14-12-17)30-18-9-5-2-6-10-18/h1-14H,15H2,(H,24,26,27)
InChIKeyCFKJLFIEBHBVKA-UHFFFAOYSA-N
XLogP4.32
TPSA103.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.41
LogP ≤ 54.32
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] 4-phenoxybenzoate?
The IUPAC name of [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 4-phenoxybenzoate (CID 2127774) is [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 4-phenoxybenzoate.
What is the SMILES notation for [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 4-phenoxybenzoate?
The canonical SMILES for [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 4-phenoxybenzoate is O=C(COC(=O)c1ccc(Oc2ccccc2)cc1)Nc1nnc(-c2ccccc2)o1.
What is the InChIKey of [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 4-phenoxybenzoate?
The InChIKey is CFKJLFIEBHBVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O5/c27-20(24-23-26-25-21(31-23)16-7-3-1-4-8-16)15-29-22(28)17-11-13-19(14-12-17)30-18-9-5-2-6-10-18/h1-14H,15H2,(H,24,26,27).
What are the key properties of [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 4-phenoxybenzoate?
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 4-phenoxybenzoate has a molecular weight of 415.41 g/mol, XLogP of 4.32, 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] 4-phenoxybenzoate is sourced from PubChem (CID 2127774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).