2-(1,3-diphenylpyrazol-4-yl)-5-phenyl-1,3,4-oxadiazole

C23H16N4O — CID 46934113

IUPAC2-(1,3-diphenylpyrazol-4-yl)-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-c3cn(-c4ccccc4)nc3-c3ccccc3)o2)cc1
InChIInChI=1S/C23H16N4O/c1-4-10-17(11-5-1)21-20(16-27(26-21)19-14-8-3-9-15-19)23-25-24-22(28-23)18-12-6-2-7-13-18/h1-16H
InChIKeyAGRQYEVBCNOVSV-UHFFFAOYSA-N
MW364.41 g/mol
LogP5.26
Rot. Bonds4

About 2-(1,3-diphenylpyrazol-4-yl)-5-phenyl-1,3,4-oxadiazole

2-(1,3-diphenylpyrazol-4-yl)-5-phenyl-1,3,4-oxadiazole (PubChem CID 46934113) has the molecular formula C23H16N4O and a molecular weight of 364.41 g/mol. Its IUPAC name is 2-(1,3-diphenylpyrazol-4-yl)-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1,3-diphenylpyrazol-4-yl)-5-phenyl-1,3,4-oxadiazole
PubChem CID46934113
Molecular FormulaC23H16N4O
Molecular Weight364.41 g/mol
Exact Mass364.13
IUPAC Name2-(1,3-diphenylpyrazol-4-yl)-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-c3cn(-c4ccccc4)nc3-c3ccccc3)o2)cc1
InChIInChI=1S/C23H16N4O/c1-4-10-17(11-5-1)21-20(16-27(26-21)19-14-8-3-9-15-19)23-25-24-22(28-23)18-12-6-2-7-13-18/h1-16H
InChIKeyAGRQYEVBCNOVSV-UHFFFAOYSA-N
XLogP5.26
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.41
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-diphenylpyrazol-4-yl)-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-(1,3-diphenylpyrazol-4-yl)-5-phenyl-1,3,4-oxadiazole (CID 46934113) is 2-(1,3-diphenylpyrazol-4-yl)-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1,3-diphenylpyrazol-4-yl)-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(1,3-diphenylpyrazol-4-yl)-5-phenyl-1,3,4-oxadiazole is c1ccc(-c2nnc(-c3cn(-c4ccccc4)nc3-c3ccccc3)o2)cc1.
What is the InChIKey of 2-(1,3-diphenylpyrazol-4-yl)-5-phenyl-1,3,4-oxadiazole?
The InChIKey is AGRQYEVBCNOVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4O/c1-4-10-17(11-5-1)21-20(16-27(26-21)19-14-8-3-9-15-19)23-25-24-22(28-23)18-12-6-2-7-13-18/h1-16H.
What are the key properties of 2-(1,3-diphenylpyrazol-4-yl)-5-phenyl-1,3,4-oxadiazole?
2-(1,3-diphenylpyrazol-4-yl)-5-phenyl-1,3,4-oxadiazole has a molecular weight of 364.41 g/mol, XLogP of 5.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-diphenylpyrazol-4-yl)-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 46934113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).