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

C17H16N2O2 — CID 867105

IUPAC5-(4-ethoxyphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
SMILESCCOc1ccc(-c2nc(-c3ccc(C)cc3)no2)cc1
InChIInChI=1S/C17H16N2O2/c1-3-20-15-10-8-14(9-11-15)17-18-16(19-21-17)13-6-4-12(2)5-7-13/h4-11H,3H2,1-2H3
InChIKeyOBXPMLNLQZWRQM-UHFFFAOYSA-N
MW280.33 g/mol
LogP4.11
Rot. Bonds4

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

5-(4-ethoxyphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole (PubChem CID 867105) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 5-(4-ethoxyphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-ethoxyphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
PubChem CID867105
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name5-(4-ethoxyphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
SMILESCCOc1ccc(-c2nc(-c3ccc(C)cc3)no2)cc1
InChIInChI=1S/C17H16N2O2/c1-3-20-15-10-8-14(9-11-15)17-18-16(19-21-17)13-6-4-12(2)5-7-13/h4-11H,3H2,1-2H3
InChIKeyOBXPMLNLQZWRQM-UHFFFAOYSA-N
XLogP4.11
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 ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-ethoxyphenyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
CID 75527903
5-(3,5-difluorophenyl)-3-(4-ethoxyphenyl)-1,2,4-oxadiazole
CID 42851412
5-(4-ethoxyphenyl)-3-(4-pyrrol-1-ylphenyl)-1,2,4-oxadiazole
CID 4916212
5-(4-methylphenyl)-3-[4-[(2-methylphenyl)methoxy]phenyl]-1,2,4-oxadiazole
CID 46044094
3-(3,5-dimethyl-1-benzofuran-2-yl)-5-(4-ethoxyphenyl)-1,2,4-oxadiazole
CID 53011718
[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl] propanoate
CID 2993467
N-[4-[4-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenyl]acetamide
CID 53103323
3-(4-ethoxyphenyl)-5-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole
CID 42585039
2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-propylacetamide
CID 25238298
5-(4-fluorophenyl)-3-(4-propoxyphenyl)-1,2,4-oxadiazole
CID 46044140
5-(2-ethoxyphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 19658008
3-[4-[(3-fluorophenyl)methoxy]phenyl]-5-(4-methylphenyl)-1,2,4-oxadiazole
CID 46044104

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethoxyphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(4-ethoxyphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole (CID 867105) is 5-(4-ethoxyphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-ethoxyphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-ethoxyphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole is CCOc1ccc(-c2nc(-c3ccc(C)cc3)no2)cc1.
What is the InChIKey of 5-(4-ethoxyphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is OBXPMLNLQZWRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-3-20-15-10-8-14(9-11-15)17-18-16(19-21-17)13-6-4-12(2)5-7-13/h4-11H,3H2,1-2H3.
What are the key properties of 5-(4-ethoxyphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole?
5-(4-ethoxyphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 280.33 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxyphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 867105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).