3-(4-fluorophenyl)-5-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-1,2,4-oxadiazole

C14H11FN4O — CID 19326193

IUPAC3-(4-fluorophenyl)-5-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-1,2,4-oxadiazole
SMILESCn1cc(/C=C/c2nc(-c3ccc(F)cc3)no2)cn1
InChIInChI=1S/C14H11FN4O/c1-19-9-10(8-16-19)2-7-13-17-14(18-20-13)11-3-5-12(15)6-4-11/h2-9H,1H3/b7-2+
InChIKeyIVSGBYRWSHUWDD-FARCUNLSSA-N
MW270.27 g/mol
LogP2.78
Rot. Bonds3

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

3-(4-fluorophenyl)-5-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-1,2,4-oxadiazole (PubChem CID 19326193) has the molecular formula C14H11FN4O and a molecular weight of 270.27 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-1,2,4-oxadiazole
PubChem CID19326193
Molecular FormulaC14H11FN4O
Molecular Weight270.27 g/mol
Exact Mass270.09
IUPAC Name3-(4-fluorophenyl)-5-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-1,2,4-oxadiazole
SMILESCn1cc(/C=C/c2nc(-c3ccc(F)cc3)no2)cn1
InChIInChI=1S/C14H11FN4O/c1-19-9-10(8-16-19)2-7-13-17-14(18-20-13)11-3-5-12(15)6-4-11/h2-9H,1H3/b7-2+
InChIKeyIVSGBYRWSHUWDD-FARCUNLSSA-N
XLogP2.78
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(4-fluorophenyl)-5-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-1,2,4-oxadiazole (CID 19326193) is 3-(4-fluorophenyl)-5-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-fluorophenyl)-5-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-fluorophenyl)-5-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-1,2,4-oxadiazole is Cn1cc(/C=C/c2nc(-c3ccc(F)cc3)no2)cn1.
What is the InChIKey of 3-(4-fluorophenyl)-5-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-1,2,4-oxadiazole?
The InChIKey is IVSGBYRWSHUWDD-FARCUNLSSA-N. The full InChI is InChI=1S/C14H11FN4O/c1-19-9-10(8-16-19)2-7-13-17-14(18-20-13)11-3-5-12(15)6-4-11/h2-9H,1H3/b7-2+.
What are the key properties of 3-(4-fluorophenyl)-5-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-1,2,4-oxadiazole?
3-(4-fluorophenyl)-5-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-1,2,4-oxadiazole has a molecular weight of 270.27 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 19326193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).