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

C15H12N2O2 — CID 619837

IUPAC5-(3-methoxyphenyl)-3-phenyl-1,2,4-oxadiazole
SMILESCOc1cccc(-c2nc(-c3ccccc3)no2)c1
InChIInChI=1S/C15H12N2O2/c1-18-13-9-5-8-12(10-13)15-16-14(17-19-15)11-6-3-2-4-7-11/h2-10H,1H3
InChIKeyFXBISMLJWSAZKK-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.41
Rot. Bonds3

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

5-(3-methoxyphenyl)-3-phenyl-1,2,4-oxadiazole (PubChem CID 619837) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-3-phenyl-1,2,4-oxadiazole
PubChem CID619837
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name5-(3-methoxyphenyl)-3-phenyl-1,2,4-oxadiazole
SMILESCOc1cccc(-c2nc(-c3ccccc3)no2)c1
InChIInChI=1S/C15H12N2O2/c1-18-13-9-5-8-12(10-13)15-16-14(17-19-15)11-6-3-2-4-7-11/h2-10H,1H3
InChIKeyFXBISMLJWSAZKK-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-(3-methoxyphenyl)-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-(3-methoxyphenyl)-3-phenyl-1,2,4-oxadiazole (CID 619837) is 5-(3-methoxyphenyl)-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-methoxyphenyl)-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-methoxyphenyl)-3-phenyl-1,2,4-oxadiazole is COc1cccc(-c2nc(-c3ccccc3)no2)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-3-phenyl-1,2,4-oxadiazole?
The InChIKey is FXBISMLJWSAZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-18-13-9-5-8-12(10-13)15-16-14(17-19-15)11-6-3-2-4-7-11/h2-10H,1H3.
What are the key properties of 5-(3-methoxyphenyl)-3-phenyl-1,2,4-oxadiazole?
5-(3-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-(3-methoxyphenyl)-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 619837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).