3-(4-methoxyphenyl)-5-(2-phenylphenyl)-1,2,4-oxadiazole

C21H16N2O2 — CID 976183

IUPAC3-(4-methoxyphenyl)-5-(2-phenylphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(-c3ccccc3-c3ccccc3)n2)cc1
InChIInChI=1S/C21H16N2O2/c1-24-17-13-11-16(12-14-17)20-22-21(25-23-20)19-10-6-5-9-18(19)15-7-3-2-4-8-15/h2-14H,1H3
InChIKeyJHIDMNKFGHQTND-UHFFFAOYSA-N
MW328.37 g/mol
LogP5.08
Rot. Bonds4

About 3-(4-methoxyphenyl)-5-(2-phenylphenyl)-1,2,4-oxadiazole

3-(4-methoxyphenyl)-5-(2-phenylphenyl)-1,2,4-oxadiazole (PubChem CID 976183) has the molecular formula C21H16N2O2 and a molecular weight of 328.37 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5-(2-phenylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5-(2-phenylphenyl)-1,2,4-oxadiazole
PubChem CID976183
Molecular FormulaC21H16N2O2
Molecular Weight328.37 g/mol
Exact Mass328.12
IUPAC Name3-(4-methoxyphenyl)-5-(2-phenylphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(-c3ccccc3-c3ccccc3)n2)cc1
InChIInChI=1S/C21H16N2O2/c1-24-17-13-11-16(12-14-17)20-22-21(25-23-20)19-10-6-5-9-18(19)15-7-3-2-4-8-15/h2-14H,1H3
InChIKeyJHIDMNKFGHQTND-UHFFFAOYSA-N
XLogP5.08
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.37
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-5-(2-phenylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(4-methoxyphenyl)-5-(2-phenylphenyl)-1,2,4-oxadiazole (CID 976183) is 3-(4-methoxyphenyl)-5-(2-phenylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-methoxyphenyl)-5-(2-phenylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-methoxyphenyl)-5-(2-phenylphenyl)-1,2,4-oxadiazole is COc1ccc(-c2noc(-c3ccccc3-c3ccccc3)n2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-5-(2-phenylphenyl)-1,2,4-oxadiazole?
The InChIKey is JHIDMNKFGHQTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2/c1-24-17-13-11-16(12-14-17)20-22-21(25-23-20)19-10-6-5-9-18(19)15-7-3-2-4-8-15/h2-14H,1H3.
What are the key properties of 3-(4-methoxyphenyl)-5-(2-phenylphenyl)-1,2,4-oxadiazole?
3-(4-methoxyphenyl)-5-(2-phenylphenyl)-1,2,4-oxadiazole has a molecular weight of 328.37 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-5-(2-phenylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 976183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).