5-[(2,4-dimethylphenoxy)methyl]-3-phenyl-1,2,4-oxadiazole

C17H16N2O2 — CID 876417

IUPAC5-[(2,4-dimethylphenoxy)methyl]-3-phenyl-1,2,4-oxadiazole
SMILESCc1ccc(OCc2nc(-c3ccccc3)no2)c(C)c1
InChIInChI=1S/C17H16N2O2/c1-12-8-9-15(13(2)10-12)20-11-16-18-17(19-21-16)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3
InChIKeyBGFFFENMWCWZKE-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.93
Rot. Bonds4

About 5-[(2,4-dimethylphenoxy)methyl]-3-phenyl-1,2,4-oxadiazole

5-[(2,4-dimethylphenoxy)methyl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 876417) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 5-[(2,4-dimethylphenoxy)methyl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2,4-dimethylphenoxy)methyl]-3-phenyl-1,2,4-oxadiazole
PubChem CID876417
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name5-[(2,4-dimethylphenoxy)methyl]-3-phenyl-1,2,4-oxadiazole
SMILESCc1ccc(OCc2nc(-c3ccccc3)no2)c(C)c1
InChIInChI=1S/C17H16N2O2/c1-12-8-9-15(13(2)10-12)20-11-16-18-17(19-21-16)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3
InChIKeyBGFFFENMWCWZKE-UHFFFAOYSA-N
XLogP3.93
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[(2,4-dimethylphenoxy)methyl]-3-phenyl-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dimethylphenoxy)methyl]-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(2,4-dimethylphenoxy)methyl]-3-phenyl-1,2,4-oxadiazole (CID 876417) is 5-[(2,4-dimethylphenoxy)methyl]-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2,4-dimethylphenoxy)methyl]-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2,4-dimethylphenoxy)methyl]-3-phenyl-1,2,4-oxadiazole is Cc1ccc(OCc2nc(-c3ccccc3)no2)c(C)c1.
What is the InChIKey of 5-[(2,4-dimethylphenoxy)methyl]-3-phenyl-1,2,4-oxadiazole?
The InChIKey is BGFFFENMWCWZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-12-8-9-15(13(2)10-12)20-11-16-18-17(19-21-16)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3.
What are the key properties of 5-[(2,4-dimethylphenoxy)methyl]-3-phenyl-1,2,4-oxadiazole?
5-[(2,4-dimethylphenoxy)methyl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 280.33 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dimethylphenoxy)methyl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 876417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).