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

C25H18FN3O — CID 154702101

IUPAC3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-5-(4-methylphenyl)-1,2-oxazole
SMILESCc1ccc(-c2cc(-c3cn(-c4ccccc4)nc3-c3ccc(F)cc3)no2)cc1
InChIInChI=1S/C25H18FN3O/c1-17-7-9-18(10-8-17)24-15-23(28-30-24)22-16-29(21-5-3-2-4-6-21)27-25(22)19-11-13-20(26)14-12-19/h2-16H,1H3
InChIKeyCPIVKJCMODRXSG-UHFFFAOYSA-N
MW395.44 g/mol
LogP6.31
Rot. Bonds4

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

3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-5-(4-methylphenyl)-1,2-oxazole (PubChem CID 154702101) has the molecular formula C25H18FN3O and a molecular weight of 395.44 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-5-(4-methylphenyl)-1,2-oxazole.

Molecular Properties

Compound Name3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-5-(4-methylphenyl)-1,2-oxazole
PubChem CID154702101
Molecular FormulaC25H18FN3O
Molecular Weight395.44 g/mol
Exact Mass395.14
IUPAC Name3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-5-(4-methylphenyl)-1,2-oxazole
SMILESCc1ccc(-c2cc(-c3cn(-c4ccccc4)nc3-c3ccc(F)cc3)no2)cc1
InChIInChI=1S/C25H18FN3O/c1-17-7-9-18(10-8-17)24-15-23(28-30-24)22-16-29(21-5-3-2-4-6-21)27-25(22)19-11-13-20(26)14-12-19/h2-16H,1H3
InChIKeyCPIVKJCMODRXSG-UHFFFAOYSA-N
XLogP6.31
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.44
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-5-(4-methylphenyl)-1,2-oxazole?
The IUPAC name of 3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-5-(4-methylphenyl)-1,2-oxazole (CID 154702101) is 3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-5-(4-methylphenyl)-1,2-oxazole.
What is the SMILES notation for 3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-5-(4-methylphenyl)-1,2-oxazole?
The canonical SMILES for 3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-5-(4-methylphenyl)-1,2-oxazole is Cc1ccc(-c2cc(-c3cn(-c4ccccc4)nc3-c3ccc(F)cc3)no2)cc1.
What is the InChIKey of 3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-5-(4-methylphenyl)-1,2-oxazole?
The InChIKey is CPIVKJCMODRXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18FN3O/c1-17-7-9-18(10-8-17)24-15-23(28-30-24)22-16-29(21-5-3-2-4-6-21)27-25(22)19-11-13-20(26)14-12-19/h2-16H,1H3.
What are the key properties of 3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-5-(4-methylphenyl)-1,2-oxazole?
3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-5-(4-methylphenyl)-1,2-oxazole has a molecular weight of 395.44 g/mol, XLogP of 6.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-5-(4-methylphenyl)-1,2-oxazole is sourced from PubChem (CID 154702101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).