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

C15H12N2O2 — CID 583994

IUPAC5-(4-methoxyphenyl)-3-phenyl-1,2,4-oxadiazole
SMILESCOc1ccc(-c2nc(-c3ccccc3)no2)cc1
InChIInChI=1S/C15H12N2O2/c1-18-13-9-7-12(8-10-13)15-16-14(17-19-15)11-5-3-2-4-6-11/h2-10H,1H3
InChIKeyZLFJTVYJKNIKBW-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.41
Rot. Bonds3

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

5-(4-methoxyphenyl)-3-phenyl-1,2,4-oxadiazole (PubChem CID 583994) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-3-phenyl-1,2,4-oxadiazole
PubChem CID583994
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name5-(4-methoxyphenyl)-3-phenyl-1,2,4-oxadiazole
SMILESCOc1ccc(-c2nc(-c3ccccc3)no2)cc1
InChIInChI=1S/C15H12N2O2/c1-18-13-9-7-12(8-10-13)15-16-14(17-19-15)11-5-3-2-4-6-11/h2-10H,1H3
InChIKeyZLFJTVYJKNIKBW-UHFFFAOYSA-N
XLogP3.41
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-(4-methoxyphenyl)-3-phenyl-1,2,4-oxadiazole (CID 583994) is 5-(4-methoxyphenyl)-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-methoxyphenyl)-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-methoxyphenyl)-3-phenyl-1,2,4-oxadiazole is COc1ccc(-c2nc(-c3ccccc3)no2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-3-phenyl-1,2,4-oxadiazole?
The InChIKey is ZLFJTVYJKNIKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-18-13-9-7-12(8-10-13)15-16-14(17-19-15)11-5-3-2-4-6-11/h2-10H,1H3.
What are the key properties of 5-(4-methoxyphenyl)-3-phenyl-1,2,4-oxadiazole?
5-(4-methoxyphenyl)-3-phenyl-1,2,4-oxadiazole has a molecular weight of 252.27 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 583994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).