[4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(2-fluorophenyl)acetate

C16H11FN2O3 — CID 8874032

IUPAC[4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(2-fluorophenyl)acetate
SMILESO=C(Cc1ccccc1F)Oc1ccc(-c2nnco2)cc1
InChIInChI=1S/C16H11FN2O3/c17-14-4-2-1-3-12(14)9-15(20)22-13-7-5-11(6-8-13)16-19-18-10-21-16/h1-8,10H,9H2
InChIKeyQRTOKBKDAMXWAF-UHFFFAOYSA-N
MW298.27 g/mol
LogP3.02
Rot. Bonds4

About [4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(2-fluorophenyl)acetate

[4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(2-fluorophenyl)acetate (PubChem CID 8874032) has the molecular formula C16H11FN2O3 and a molecular weight of 298.27 g/mol. Its IUPAC name is [4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(2-fluorophenyl)acetate.

Molecular Properties

Compound Name[4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(2-fluorophenyl)acetate
PubChem CID8874032
Molecular FormulaC16H11FN2O3
Molecular Weight298.27 g/mol
Exact Mass298.08
IUPAC Name[4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(2-fluorophenyl)acetate
SMILESO=C(Cc1ccccc1F)Oc1ccc(-c2nnco2)cc1
InChIInChI=1S/C16H11FN2O3/c17-14-4-2-1-3-12(14)9-15(20)22-13-7-5-11(6-8-13)16-19-18-10-21-16/h1-8,10H,9H2
InChIKeyQRTOKBKDAMXWAF-UHFFFAOYSA-N
XLogP3.02
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(2-fluorophenyl)acetate?
The IUPAC name of [4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(2-fluorophenyl)acetate (CID 8874032) is [4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(2-fluorophenyl)acetate.
What is the SMILES notation for [4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(2-fluorophenyl)acetate?
The canonical SMILES for [4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(2-fluorophenyl)acetate is O=C(Cc1ccccc1F)Oc1ccc(-c2nnco2)cc1.
What is the InChIKey of [4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(2-fluorophenyl)acetate?
The InChIKey is QRTOKBKDAMXWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O3/c17-14-4-2-1-3-12(14)9-15(20)22-13-7-5-11(6-8-13)16-19-18-10-21-16/h1-8,10H,9H2.
What are the key properties of [4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(2-fluorophenyl)acetate?
[4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(2-fluorophenyl)acetate has a molecular weight of 298.27 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(2-fluorophenyl)acetate is sourced from PubChem (CID 8874032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).