3-(2,5-difluorophenyl)-5-(1,5-diphenylpyrazol-4-yl)-1,2,4-oxadiazole

C23H14F2N4O — CID 66795493

IUPAC3-(2,5-difluorophenyl)-5-(1,5-diphenylpyrazol-4-yl)-1,2,4-oxadiazole
SMILESFc1ccc(F)c(-c2noc(-c3cnn(-c4ccccc4)c3-c3ccccc3)n2)c1
InChIInChI=1S/C23H14F2N4O/c24-16-11-12-20(25)18(13-16)22-27-23(30-28-22)19-14-26-29(17-9-5-2-6-10-17)21(19)15-7-3-1-4-8-15/h1-14H
InChIKeyGEHCRWSESMLOPK-UHFFFAOYSA-N
MW400.39 g/mol
LogP5.53
Rot. Bonds4

About 3-(2,5-difluorophenyl)-5-(1,5-diphenylpyrazol-4-yl)-1,2,4-oxadiazole

3-(2,5-difluorophenyl)-5-(1,5-diphenylpyrazol-4-yl)-1,2,4-oxadiazole (PubChem CID 66795493) has the molecular formula C23H14F2N4O and a molecular weight of 400.39 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)-5-(1,5-diphenylpyrazol-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2,5-difluorophenyl)-5-(1,5-diphenylpyrazol-4-yl)-1,2,4-oxadiazole
PubChem CID66795493
Molecular FormulaC23H14F2N4O
Molecular Weight400.39 g/mol
Exact Mass400.11
IUPAC Name3-(2,5-difluorophenyl)-5-(1,5-diphenylpyrazol-4-yl)-1,2,4-oxadiazole
SMILESFc1ccc(F)c(-c2noc(-c3cnn(-c4ccccc4)c3-c3ccccc3)n2)c1
InChIInChI=1S/C23H14F2N4O/c24-16-11-12-20(25)18(13-16)22-27-23(30-28-22)19-14-26-29(17-9-5-2-6-10-17)21(19)15-7-3-1-4-8-15/h1-14H
InChIKeyGEHCRWSESMLOPK-UHFFFAOYSA-N
XLogP5.53
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.39
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenyl)-5-(1,5-diphenylpyrazol-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2,5-difluorophenyl)-5-(1,5-diphenylpyrazol-4-yl)-1,2,4-oxadiazole (CID 66795493) is 3-(2,5-difluorophenyl)-5-(1,5-diphenylpyrazol-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2,5-difluorophenyl)-5-(1,5-diphenylpyrazol-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2,5-difluorophenyl)-5-(1,5-diphenylpyrazol-4-yl)-1,2,4-oxadiazole is Fc1ccc(F)c(-c2noc(-c3cnn(-c4ccccc4)c3-c3ccccc3)n2)c1.
What is the InChIKey of 3-(2,5-difluorophenyl)-5-(1,5-diphenylpyrazol-4-yl)-1,2,4-oxadiazole?
The InChIKey is GEHCRWSESMLOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F2N4O/c24-16-11-12-20(25)18(13-16)22-27-23(30-28-22)19-14-26-29(17-9-5-2-6-10-17)21(19)15-7-3-1-4-8-15/h1-14H.
What are the key properties of 3-(2,5-difluorophenyl)-5-(1,5-diphenylpyrazol-4-yl)-1,2,4-oxadiazole?
3-(2,5-difluorophenyl)-5-(1,5-diphenylpyrazol-4-yl)-1,2,4-oxadiazole has a molecular weight of 400.39 g/mol, XLogP of 5.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluorophenyl)-5-(1,5-diphenylpyrazol-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 66795493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).