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

C15H12N2O — CID 577306

IUPAC5-(3-methylphenyl)-3-phenyl-1,2,4-oxadiazole
SMILESCc1cccc(-c2nc(-c3ccccc3)no2)c1
InChIInChI=1S/C15H12N2O/c1-11-6-5-9-13(10-11)15-16-14(17-18-15)12-7-3-2-4-8-12/h2-10H,1H3
InChIKeyDAUYEEDADHUVRJ-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.71
Rot. Bonds2

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

5-(3-methylphenyl)-3-phenyl-1,2,4-oxadiazole (PubChem CID 577306) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 5-(3-methylphenyl)-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-methylphenyl)-3-phenyl-1,2,4-oxadiazole
PubChem CID577306
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name5-(3-methylphenyl)-3-phenyl-1,2,4-oxadiazole
SMILESCc1cccc(-c2nc(-c3ccccc3)no2)c1
InChIInChI=1S/C15H12N2O/c1-11-6-5-9-13(10-11)15-16-14(17-18-15)12-7-3-2-4-8-12/h2-10H,1H3
InChIKeyDAUYEEDADHUVRJ-UHFFFAOYSA-N
XLogP3.71
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methylphenyl)-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-(3-methylphenyl)-3-phenyl-1,2,4-oxadiazole (CID 577306) is 5-(3-methylphenyl)-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-methylphenyl)-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-methylphenyl)-3-phenyl-1,2,4-oxadiazole is Cc1cccc(-c2nc(-c3ccccc3)no2)c1.
What is the InChIKey of 5-(3-methylphenyl)-3-phenyl-1,2,4-oxadiazole?
The InChIKey is DAUYEEDADHUVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c1-11-6-5-9-13(10-11)15-16-14(17-18-15)12-7-3-2-4-8-12/h2-10H,1H3.
What are the key properties of 5-(3-methylphenyl)-3-phenyl-1,2,4-oxadiazole?
5-(3-methylphenyl)-3-phenyl-1,2,4-oxadiazole has a molecular weight of 236.27 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylphenyl)-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 577306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).