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

C18H14FN3O5 — CID 9140177

IUPAC[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-(2-fluorophenoxy)acetate
SMILESO=C(COC(=O)COc1ccccc1F)Nc1nnc(-c2ccccc2)o1
InChIInChI=1S/C18H14FN3O5/c19-13-8-4-5-9-14(13)25-11-16(24)26-10-15(23)20-18-22-21-17(27-18)12-6-2-1-3-7-12/h1-9H,10-11H2,(H,20,22,23)
InChIKeyKOMYJYHCAOGZDT-UHFFFAOYSA-N
MW371.32 g/mol
LogP2.44
Rot. Bonds7

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

[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-(2-fluorophenoxy)acetate (PubChem CID 9140177) has the molecular formula C18H14FN3O5 and a molecular weight of 371.32 g/mol. Its IUPAC name is [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-(2-fluorophenoxy)acetate.

Molecular Properties

Compound Name[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-(2-fluorophenoxy)acetate
PubChem CID9140177
Molecular FormulaC18H14FN3O5
Molecular Weight371.32 g/mol
Exact Mass371.09
IUPAC Name[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-(2-fluorophenoxy)acetate
SMILESO=C(COC(=O)COc1ccccc1F)Nc1nnc(-c2ccccc2)o1
InChIInChI=1S/C18H14FN3O5/c19-13-8-4-5-9-14(13)25-11-16(24)26-10-15(23)20-18-22-21-17(27-18)12-6-2-1-3-7-12/h1-9H,10-11H2,(H,20,22,23)
InChIKeyKOMYJYHCAOGZDT-UHFFFAOYSA-N
XLogP2.44
TPSA103.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.32
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-(4-methoxyphenoxy)acetate
CID 7846670
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-(2,4,6-trimethylphenoxy)acetate
CID 7997548
2-(2-cyanophenoxy)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide
CID 7433407
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 7839369
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 3,3-dimethylbutanoate
CID 7950761
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-methylpropanoate
CID 7782402
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-dibenzofuran-2-yloxyacetate
CID 27690137
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 22830575
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 4-chlorobenzoate
CID 7797205
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] (3S)-3-phenylbutanoate
CID 7227751
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-(2,4-dichlorophenyl)acetate
CID 7763068
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 3-phenylprop-2-enoate
CID 71953493

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-(2-fluorophenoxy)acetate?
The IUPAC name of [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-(2-fluorophenoxy)acetate (CID 9140177) is [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-(2-fluorophenoxy)acetate.
What is the SMILES notation for [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-(2-fluorophenoxy)acetate?
The canonical SMILES for [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-(2-fluorophenoxy)acetate is O=C(COC(=O)COc1ccccc1F)Nc1nnc(-c2ccccc2)o1.
What is the InChIKey of [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-(2-fluorophenoxy)acetate?
The InChIKey is KOMYJYHCAOGZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O5/c19-13-8-4-5-9-14(13)25-11-16(24)26-10-15(23)20-18-22-21-17(27-18)12-6-2-1-3-7-12/h1-9H,10-11H2,(H,20,22,23).
What are the key properties of [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-(2-fluorophenoxy)acetate?
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-(2-fluorophenoxy)acetate has a molecular weight of 371.32 g/mol, XLogP of 2.44, 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-(2-fluorophenoxy)acetate is sourced from PubChem (CID 9140177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).