5-[1-(2-methylphenoxy)ethyl]-3-phenyl-1,2,4-oxadiazole

C17H16N2O2 — CID 2976424

IUPAC5-[1-(2-methylphenoxy)ethyl]-3-phenyl-1,2,4-oxadiazole
SMILESCc1ccccc1OC(C)c1nc(-c2ccccc2)no1
InChIInChI=1S/C17H16N2O2/c1-12-8-6-7-11-15(12)20-13(2)17-18-16(19-21-17)14-9-4-3-5-10-14/h3-11,13H,1-2H3
InChIKeyWJGZMDUXVBONMU-UHFFFAOYSA-N
MW280.33 g/mol
LogP4.19
Rot. Bonds4

About 5-[1-(2-methylphenoxy)ethyl]-3-phenyl-1,2,4-oxadiazole

5-[1-(2-methylphenoxy)ethyl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 2976424) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 5-[1-(2-methylphenoxy)ethyl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(2-methylphenoxy)ethyl]-3-phenyl-1,2,4-oxadiazole
PubChem CID2976424
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name5-[1-(2-methylphenoxy)ethyl]-3-phenyl-1,2,4-oxadiazole
SMILESCc1ccccc1OC(C)c1nc(-c2ccccc2)no1
InChIInChI=1S/C17H16N2O2/c1-12-8-6-7-11-15(12)20-13(2)17-18-16(19-21-17)14-9-4-3-5-10-14/h3-11,13H,1-2H3
InChIKeyWJGZMDUXVBONMU-UHFFFAOYSA-N
XLogP4.19
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 ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-methylphenoxy)ethyl]-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(2-methylphenoxy)ethyl]-3-phenyl-1,2,4-oxadiazole (CID 2976424) is 5-[1-(2-methylphenoxy)ethyl]-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(2-methylphenoxy)ethyl]-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(2-methylphenoxy)ethyl]-3-phenyl-1,2,4-oxadiazole is Cc1ccccc1OC(C)c1nc(-c2ccccc2)no1.
What is the InChIKey of 5-[1-(2-methylphenoxy)ethyl]-3-phenyl-1,2,4-oxadiazole?
The InChIKey is WJGZMDUXVBONMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-12-8-6-7-11-15(12)20-13(2)17-18-16(19-21-17)14-9-4-3-5-10-14/h3-11,13H,1-2H3.
What are the key properties of 5-[1-(2-methylphenoxy)ethyl]-3-phenyl-1,2,4-oxadiazole?
5-[1-(2-methylphenoxy)ethyl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 280.33 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-methylphenoxy)ethyl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 2976424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).