2-[3-[(E)-2-(4-fluorophenyl)ethenyl]-1,2,4-oxadiazol-5-yl]phenol

C16H11FN2O2 — CID 135419177

IUPAC2-[3-[(E)-2-(4-fluorophenyl)ethenyl]-1,2,4-oxadiazol-5-yl]phenol
SMILESOc1ccccc1-c1nc(/C=C/c2ccc(F)cc2)no1
InChIInChI=1S/C16H11FN2O2/c17-12-8-5-11(6-9-12)7-10-15-18-16(21-19-15)13-3-1-2-4-14(13)20/h1-10,20H/b10-7+
InChIKeyVGOIHDHZVUWSQS-JXMROGBWSA-N
MW282.27 g/mol
LogP3.75
Rot. Bonds3

About 2-[3-[(E)-2-(4-fluorophenyl)ethenyl]-1,2,4-oxadiazol-5-yl]phenol

2-[3-[(E)-2-(4-fluorophenyl)ethenyl]-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 135419177) has the molecular formula C16H11FN2O2 and a molecular weight of 282.27 g/mol. Its IUPAC name is 2-[3-[(E)-2-(4-fluorophenyl)ethenyl]-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name2-[3-[(E)-2-(4-fluorophenyl)ethenyl]-1,2,4-oxadiazol-5-yl]phenol
PubChem CID135419177
Molecular FormulaC16H11FN2O2
Molecular Weight282.27 g/mol
Exact Mass282.08
IUPAC Name2-[3-[(E)-2-(4-fluorophenyl)ethenyl]-1,2,4-oxadiazol-5-yl]phenol
SMILESOc1ccccc1-c1nc(/C=C/c2ccc(F)cc2)no1
InChIInChI=1S/C16H11FN2O2/c17-12-8-5-11(6-9-12)7-10-15-18-16(21-19-15)13-3-1-2-4-14(13)20/h1-10,20H/b10-7+
InChIKeyVGOIHDHZVUWSQS-JXMROGBWSA-N
XLogP3.75
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(E)-2-(4-fluorophenyl)ethenyl]-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 2-[3-[(E)-2-(4-fluorophenyl)ethenyl]-1,2,4-oxadiazol-5-yl]phenol (CID 135419177) is 2-[3-[(E)-2-(4-fluorophenyl)ethenyl]-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 2-[3-[(E)-2-(4-fluorophenyl)ethenyl]-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 2-[3-[(E)-2-(4-fluorophenyl)ethenyl]-1,2,4-oxadiazol-5-yl]phenol is Oc1ccccc1-c1nc(/C=C/c2ccc(F)cc2)no1.
What is the InChIKey of 2-[3-[(E)-2-(4-fluorophenyl)ethenyl]-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is VGOIHDHZVUWSQS-JXMROGBWSA-N. The full InChI is InChI=1S/C16H11FN2O2/c17-12-8-5-11(6-9-12)7-10-15-18-16(21-19-15)13-3-1-2-4-14(13)20/h1-10,20H/b10-7+.
What are the key properties of 2-[3-[(E)-2-(4-fluorophenyl)ethenyl]-1,2,4-oxadiazol-5-yl]phenol?
2-[3-[(E)-2-(4-fluorophenyl)ethenyl]-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 282.27 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(E)-2-(4-fluorophenyl)ethenyl]-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 135419177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).