5-(4-fluorophenyl)-3-[(E)-3-phenylprop-2-enyl]-1,3,4-oxadiazol-2-one

C17H13FN2O2 — CID 17434877

IUPAC5-(4-fluorophenyl)-3-[(E)-3-phenylprop-2-enyl]-1,3,4-oxadiazol-2-one
SMILESO=c1oc(-c2ccc(F)cc2)nn1C/C=C/c1ccccc1
InChIInChI=1S/C17H13FN2O2/c18-15-10-8-14(9-11-15)16-19-20(17(21)22-16)12-4-7-13-5-2-1-3-6-13/h1-11H,12H2/b7-4+
InChIKeyVAVAGITUJSNPNC-QPJJXVBHSA-N
MW296.30 g/mol
LogP3.36
Rot. Bonds4

About 5-(4-fluorophenyl)-3-[(E)-3-phenylprop-2-enyl]-1,3,4-oxadiazol-2-one

5-(4-fluorophenyl)-3-[(E)-3-phenylprop-2-enyl]-1,3,4-oxadiazol-2-one (PubChem CID 17434877) has the molecular formula C17H13FN2O2 and a molecular weight of 296.30 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-[(E)-3-phenylprop-2-enyl]-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-[(E)-3-phenylprop-2-enyl]-1,3,4-oxadiazol-2-one
PubChem CID17434877
Molecular FormulaC17H13FN2O2
Molecular Weight296.30 g/mol
Exact Mass296.10
IUPAC Name5-(4-fluorophenyl)-3-[(E)-3-phenylprop-2-enyl]-1,3,4-oxadiazol-2-one
SMILESO=c1oc(-c2ccc(F)cc2)nn1C/C=C/c1ccccc1
InChIInChI=1S/C17H13FN2O2/c18-15-10-8-14(9-11-15)16-19-20(17(21)22-16)12-4-7-13-5-2-1-3-6-13/h1-11H,12H2/b7-4+
InChIKeyVAVAGITUJSNPNC-QPJJXVBHSA-N
XLogP3.36
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-[(E)-3-phenylprop-2-enyl]-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(4-fluorophenyl)-3-[(E)-3-phenylprop-2-enyl]-1,3,4-oxadiazol-2-one (CID 17434877) is 5-(4-fluorophenyl)-3-[(E)-3-phenylprop-2-enyl]-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(4-fluorophenyl)-3-[(E)-3-phenylprop-2-enyl]-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(4-fluorophenyl)-3-[(E)-3-phenylprop-2-enyl]-1,3,4-oxadiazol-2-one is O=c1oc(-c2ccc(F)cc2)nn1C/C=C/c1ccccc1.
What is the InChIKey of 5-(4-fluorophenyl)-3-[(E)-3-phenylprop-2-enyl]-1,3,4-oxadiazol-2-one?
The InChIKey is VAVAGITUJSNPNC-QPJJXVBHSA-N. The full InChI is InChI=1S/C17H13FN2O2/c18-15-10-8-14(9-11-15)16-19-20(17(21)22-16)12-4-7-13-5-2-1-3-6-13/h1-11H,12H2/b7-4+.
What are the key properties of 5-(4-fluorophenyl)-3-[(E)-3-phenylprop-2-enyl]-1,3,4-oxadiazol-2-one?
5-(4-fluorophenyl)-3-[(E)-3-phenylprop-2-enyl]-1,3,4-oxadiazol-2-one has a molecular weight of 296.30 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-[(E)-3-phenylprop-2-enyl]-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 17434877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).