[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] (E)-3-(4-fluorophenyl)prop-2-enoate

C19H14FN3O4 — CID 7767186

IUPAC[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
SMILESO=C(COC(=O)/C=C/c1ccc(F)cc1)Nc1nnc(-c2ccccc2)o1
InChIInChI=1S/C19H14FN3O4/c20-15-9-6-13(7-10-15)8-11-17(25)26-12-16(24)21-19-23-22-18(27-19)14-4-2-1-3-5-14/h1-11H,12H2,(H,21,23,24)/b11-8+
InChIKeyDGLIXRPVTYYWRD-DHZHZOJOSA-N
MW367.34 g/mol
LogP3.07
Rot. Bonds6

About [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] (E)-3-(4-fluorophenyl)prop-2-enoate

[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] (E)-3-(4-fluorophenyl)prop-2-enoate (PubChem CID 7767186) has the molecular formula C19H14FN3O4 and a molecular weight of 367.34 g/mol. Its IUPAC name is [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] (E)-3-(4-fluorophenyl)prop-2-enoate.

Molecular Properties

Compound Name[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
PubChem CID7767186
Molecular FormulaC19H14FN3O4
Molecular Weight367.34 g/mol
Exact Mass367.10
IUPAC Name[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
SMILESO=C(COC(=O)/C=C/c1ccc(F)cc1)Nc1nnc(-c2ccccc2)o1
InChIInChI=1S/C19H14FN3O4/c20-15-9-6-13(7-10-15)8-11-17(25)26-12-16(24)21-19-23-22-18(27-19)14-4-2-1-3-5-14/h1-11H,12H2,(H,21,23,24)/b11-8+
InChIKeyDGLIXRPVTYYWRD-DHZHZOJOSA-N
XLogP3.07
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.34
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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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] (E)-3-(4-fluorophenyl)prop-2-enoate?
The IUPAC name of [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] (E)-3-(4-fluorophenyl)prop-2-enoate (CID 7767186) is [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] (E)-3-(4-fluorophenyl)prop-2-enoate.
What is the SMILES notation for [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] (E)-3-(4-fluorophenyl)prop-2-enoate?
The canonical SMILES for [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] (E)-3-(4-fluorophenyl)prop-2-enoate is O=C(COC(=O)/C=C/c1ccc(F)cc1)Nc1nnc(-c2ccccc2)o1.
What is the InChIKey of [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] (E)-3-(4-fluorophenyl)prop-2-enoate?
The InChIKey is DGLIXRPVTYYWRD-DHZHZOJOSA-N. The full InChI is InChI=1S/C19H14FN3O4/c20-15-9-6-13(7-10-15)8-11-17(25)26-12-16(24)21-19-23-22-18(27-19)14-4-2-1-3-5-14/h1-11H,12H2,(H,21,23,24)/b11-8+.
What are the key properties of [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] (E)-3-(4-fluorophenyl)prop-2-enoate?
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] (E)-3-(4-fluorophenyl)prop-2-enoate has a molecular weight of 367.34 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 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] (E)-3-(4-fluorophenyl)prop-2-enoate is sourced from PubChem (CID 7767186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).