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

C21H14N4O — CID 13415362

IUPAC5-phenyl-3-(1-phenylindazol-3-yl)-1,2,4-oxadiazole
SMILESc1ccc(-c2nc(-c3nn(-c4ccccc4)c4ccccc34)no2)cc1
InChIInChI=1S/C21H14N4O/c1-3-9-15(10-4-1)21-22-20(24-26-21)19-17-13-7-8-14-18(17)25(23-19)16-11-5-2-6-12-16/h1-14H
InChIKeyVFRGFDNWPVGPCF-UHFFFAOYSA-N
MW338.37 g/mol
LogP4.74
Rot. Bonds3

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

5-phenyl-3-(1-phenylindazol-3-yl)-1,2,4-oxadiazole (PubChem CID 13415362) has the molecular formula C21H14N4O and a molecular weight of 338.37 g/mol. Its IUPAC name is 5-phenyl-3-(1-phenylindazol-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-phenyl-3-(1-phenylindazol-3-yl)-1,2,4-oxadiazole
PubChem CID13415362
Molecular FormulaC21H14N4O
Molecular Weight338.37 g/mol
Exact Mass338.12
IUPAC Name5-phenyl-3-(1-phenylindazol-3-yl)-1,2,4-oxadiazole
SMILESc1ccc(-c2nc(-c3nn(-c4ccccc4)c4ccccc34)no2)cc1
InChIInChI=1S/C21H14N4O/c1-3-9-15(10-4-1)21-22-20(24-26-21)19-17-13-7-8-14-18(17)25(23-19)16-11-5-2-6-12-16/h1-14H
InChIKeyVFRGFDNWPVGPCF-UHFFFAOYSA-N
XLogP4.74
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-(1-phenylindazol-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-phenyl-3-(1-phenylindazol-3-yl)-1,2,4-oxadiazole (CID 13415362) is 5-phenyl-3-(1-phenylindazol-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-phenyl-3-(1-phenylindazol-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-phenyl-3-(1-phenylindazol-3-yl)-1,2,4-oxadiazole is c1ccc(-c2nc(-c3nn(-c4ccccc4)c4ccccc34)no2)cc1.
What is the InChIKey of 5-phenyl-3-(1-phenylindazol-3-yl)-1,2,4-oxadiazole?
The InChIKey is VFRGFDNWPVGPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4O/c1-3-9-15(10-4-1)21-22-20(24-26-21)19-17-13-7-8-14-18(17)25(23-19)16-11-5-2-6-12-16/h1-14H.
What are the key properties of 5-phenyl-3-(1-phenylindazol-3-yl)-1,2,4-oxadiazole?
5-phenyl-3-(1-phenylindazol-3-yl)-1,2,4-oxadiazole has a molecular weight of 338.37 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-(1-phenylindazol-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 13415362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).