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

C24H14F3N3O — CID 154702124

IUPAC5-(2,4-difluorophenyl)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1,2-oxazole
SMILESFc1ccc(-c2nn(-c3ccccc3)cc2-c2cc(-c3ccc(F)cc3F)on2)cc1
InChIInChI=1S/C24H14F3N3O/c25-16-8-6-15(7-9-16)24-20(14-30(28-24)18-4-2-1-3-5-18)22-13-23(31-29-22)19-11-10-17(26)12-21(19)27/h1-14H
InChIKeyHTVGYRKWDRXOGC-UHFFFAOYSA-N
MW417.39 g/mol
LogP6.28
Rot. Bonds4

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

5-(2,4-difluorophenyl)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1,2-oxazole (PubChem CID 154702124) has the molecular formula C24H14F3N3O and a molecular weight of 417.39 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1,2-oxazole.

Molecular Properties

Compound Name5-(2,4-difluorophenyl)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1,2-oxazole
PubChem CID154702124
Molecular FormulaC24H14F3N3O
Molecular Weight417.39 g/mol
Exact Mass417.11
IUPAC Name5-(2,4-difluorophenyl)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1,2-oxazole
SMILESFc1ccc(-c2nn(-c3ccccc3)cc2-c2cc(-c3ccc(F)cc3F)on2)cc1
InChIInChI=1S/C24H14F3N3O/c25-16-8-6-15(7-9-16)24-20(14-30(28-24)18-4-2-1-3-5-18)22-13-23(31-29-22)19-11-10-17(26)12-21(19)27/h1-14H
InChIKeyHTVGYRKWDRXOGC-UHFFFAOYSA-N
XLogP6.28
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.39
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenyl)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1,2-oxazole?
The IUPAC name of 5-(2,4-difluorophenyl)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1,2-oxazole (CID 154702124) is 5-(2,4-difluorophenyl)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1,2-oxazole.
What is the SMILES notation for 5-(2,4-difluorophenyl)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1,2-oxazole?
The canonical SMILES for 5-(2,4-difluorophenyl)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1,2-oxazole is Fc1ccc(-c2nn(-c3ccccc3)cc2-c2cc(-c3ccc(F)cc3F)on2)cc1.
What is the InChIKey of 5-(2,4-difluorophenyl)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1,2-oxazole?
The InChIKey is HTVGYRKWDRXOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14F3N3O/c25-16-8-6-15(7-9-16)24-20(14-30(28-24)18-4-2-1-3-5-18)22-13-23(31-29-22)19-11-10-17(26)12-21(19)27/h1-14H.
What are the key properties of 5-(2,4-difluorophenyl)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1,2-oxazole?
5-(2,4-difluorophenyl)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1,2-oxazole has a molecular weight of 417.39 g/mol, XLogP of 6.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenyl)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1,2-oxazole is sourced from PubChem (CID 154702124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).