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

C24H15F2N3O — CID 154702113

IUPAC5-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1,2-oxazole
SMILESFc1ccc(-c2cc(-c3cn(-c4ccccc4)nc3-c3ccc(F)cc3)no2)cc1
InChIInChI=1S/C24H15F2N3O/c25-18-10-6-16(7-11-18)23-14-22(28-30-23)21-15-29(20-4-2-1-3-5-20)27-24(21)17-8-12-19(26)13-9-17/h1-15H
InChIKeyABTFJTGYNORKCB-UHFFFAOYSA-N
MW399.40 g/mol
LogP6.14
Rot. Bonds4

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

5-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1,2-oxazole (PubChem CID 154702113) has the molecular formula C24H15F2N3O and a molecular weight of 399.40 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1,2-oxazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1,2-oxazole
PubChem CID154702113
Molecular FormulaC24H15F2N3O
Molecular Weight399.40 g/mol
Exact Mass399.12
IUPAC Name5-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1,2-oxazole
SMILESFc1ccc(-c2cc(-c3cn(-c4ccccc4)nc3-c3ccc(F)cc3)no2)cc1
InChIInChI=1S/C24H15F2N3O/c25-18-10-6-16(7-11-18)23-14-22(28-30-23)21-15-29(20-4-2-1-3-5-20)27-24(21)17-8-12-19(26)13-9-17/h1-15H
InChIKeyABTFJTGYNORKCB-UHFFFAOYSA-N
XLogP6.14
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.40
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1,2-oxazole?
The IUPAC name of 5-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1,2-oxazole (CID 154702113) is 5-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1,2-oxazole.
What is the SMILES notation for 5-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1,2-oxazole?
The canonical SMILES for 5-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1,2-oxazole is Fc1ccc(-c2cc(-c3cn(-c4ccccc4)nc3-c3ccc(F)cc3)no2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1,2-oxazole?
The InChIKey is ABTFJTGYNORKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F2N3O/c25-18-10-6-16(7-11-18)23-14-22(28-30-23)21-15-29(20-4-2-1-3-5-20)27-24(21)17-8-12-19(26)13-9-17/h1-15H.
What are the key properties of 5-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1,2-oxazole?
5-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1,2-oxazole has a molecular weight of 399.40 g/mol, XLogP of 6.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1,2-oxazole is sourced from PubChem (CID 154702113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).