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

C24H16BrN3O — CID 45268757

IUPAC3-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,2-oxazole
SMILESBrc1ccc(-c2nn(-c3ccccc3)cc2-c2cc(-c3ccccc3)on2)cc1
InChIInChI=1S/C24H16BrN3O/c25-19-13-11-18(12-14-19)24-21(16-28(26-24)20-9-5-2-6-10-20)22-15-23(29-27-22)17-7-3-1-4-8-17/h1-16H
InChIKeyHVQJMHDCGYNNIU-UHFFFAOYSA-N
MW442.32 g/mol
LogP6.62
Rot. Bonds4

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

3-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,2-oxazole (PubChem CID 45268757) has the molecular formula C24H16BrN3O and a molecular weight of 442.32 g/mol. Its IUPAC name is 3-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,2-oxazole.

Molecular Properties

Compound Name3-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,2-oxazole
PubChem CID45268757
Molecular FormulaC24H16BrN3O
Molecular Weight442.32 g/mol
Exact Mass441.05
IUPAC Name3-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,2-oxazole
SMILESBrc1ccc(-c2nn(-c3ccccc3)cc2-c2cc(-c3ccccc3)on2)cc1
InChIInChI=1S/C24H16BrN3O/c25-19-13-11-18(12-14-19)24-21(16-28(26-24)20-9-5-2-6-10-20)22-15-23(29-27-22)17-7-3-1-4-8-17/h1-16H
InChIKeyHVQJMHDCGYNNIU-UHFFFAOYSA-N
XLogP6.62
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.32
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,2-oxazole?
The IUPAC name of 3-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,2-oxazole (CID 45268757) is 3-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,2-oxazole.
What is the SMILES notation for 3-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,2-oxazole?
The canonical SMILES for 3-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,2-oxazole is Brc1ccc(-c2nn(-c3ccccc3)cc2-c2cc(-c3ccccc3)on2)cc1.
What is the InChIKey of 3-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,2-oxazole?
The InChIKey is HVQJMHDCGYNNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16BrN3O/c25-19-13-11-18(12-14-19)24-21(16-28(26-24)20-9-5-2-6-10-20)22-15-23(29-27-22)17-7-3-1-4-8-17/h1-16H.
What are the key properties of 3-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,2-oxazole?
3-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,2-oxazole has a molecular weight of 442.32 g/mol, XLogP of 6.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,2-oxazole is sourced from PubChem (CID 45268757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).