3-(2,5-difluorophenyl)-5-[1-(4-fluorophenyl)-5-phenylpyrazol-4-yl]-1,2,4-oxadiazole

C23H13F3N4O — CID 66795374

IUPAC3-(2,5-difluorophenyl)-5-[1-(4-fluorophenyl)-5-phenylpyrazol-4-yl]-1,2,4-oxadiazole
SMILESFc1ccc(-n2ncc(-c3nc(-c4cc(F)ccc4F)no3)c2-c2ccccc2)cc1
InChIInChI=1S/C23H13F3N4O/c24-15-6-9-17(10-7-15)30-21(14-4-2-1-3-5-14)19(13-27-30)23-28-22(29-31-23)18-12-16(25)8-11-20(18)26/h1-13H
InChIKeyNSJKPBFOSRPEBW-UHFFFAOYSA-N
MW418.38 g/mol
LogP5.67
Rot. Bonds4

About 3-(2,5-difluorophenyl)-5-[1-(4-fluorophenyl)-5-phenylpyrazol-4-yl]-1,2,4-oxadiazole

3-(2,5-difluorophenyl)-5-[1-(4-fluorophenyl)-5-phenylpyrazol-4-yl]-1,2,4-oxadiazole (PubChem CID 66795374) has the molecular formula C23H13F3N4O and a molecular weight of 418.38 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)-5-[1-(4-fluorophenyl)-5-phenylpyrazol-4-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2,5-difluorophenyl)-5-[1-(4-fluorophenyl)-5-phenylpyrazol-4-yl]-1,2,4-oxadiazole
PubChem CID66795374
Molecular FormulaC23H13F3N4O
Molecular Weight418.38 g/mol
Exact Mass418.10
IUPAC Name3-(2,5-difluorophenyl)-5-[1-(4-fluorophenyl)-5-phenylpyrazol-4-yl]-1,2,4-oxadiazole
SMILESFc1ccc(-n2ncc(-c3nc(-c4cc(F)ccc4F)no3)c2-c2ccccc2)cc1
InChIInChI=1S/C23H13F3N4O/c24-15-6-9-17(10-7-15)30-21(14-4-2-1-3-5-14)19(13-27-30)23-28-22(29-31-23)18-12-16(25)8-11-20(18)26/h1-13H
InChIKeyNSJKPBFOSRPEBW-UHFFFAOYSA-N
XLogP5.67
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.38
LogP ≤ 55.67
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-(4-fluorophenyl)-5-phenylpyrazol-4-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(2,5-difluorophenyl)-5-[1-(4-fluorophenyl)-5-phenylpyrazol-4-yl]-1,2,4-oxadiazole (CID 66795374) is 3-(2,5-difluorophenyl)-5-[1-(4-fluorophenyl)-5-phenylpyrazol-4-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2,5-difluorophenyl)-5-[1-(4-fluorophenyl)-5-phenylpyrazol-4-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(2,5-difluorophenyl)-5-[1-(4-fluorophenyl)-5-phenylpyrazol-4-yl]-1,2,4-oxadiazole is Fc1ccc(-n2ncc(-c3nc(-c4cc(F)ccc4F)no3)c2-c2ccccc2)cc1.
What is the InChIKey of 3-(2,5-difluorophenyl)-5-[1-(4-fluorophenyl)-5-phenylpyrazol-4-yl]-1,2,4-oxadiazole?
The InChIKey is NSJKPBFOSRPEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13F3N4O/c24-15-6-9-17(10-7-15)30-21(14-4-2-1-3-5-14)19(13-27-30)23-28-22(29-31-23)18-12-16(25)8-11-20(18)26/h1-13H.
What are the key properties of 3-(2,5-difluorophenyl)-5-[1-(4-fluorophenyl)-5-phenylpyrazol-4-yl]-1,2,4-oxadiazole?
3-(2,5-difluorophenyl)-5-[1-(4-fluorophenyl)-5-phenylpyrazol-4-yl]-1,2,4-oxadiazole has a molecular weight of 418.38 g/mol, XLogP of 5.67, 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-(4-fluorophenyl)-5-phenylpyrazol-4-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 66795374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).