5-[(4-ethylphenoxy)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole

C18H18N2O2 — CID 806936

IUPAC5-[(4-ethylphenoxy)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
SMILESCCc1ccc(OCc2nc(-c3ccc(C)cc3)no2)cc1
InChIInChI=1S/C18H18N2O2/c1-3-14-6-10-16(11-7-14)21-12-17-19-18(20-22-17)15-8-4-13(2)5-9-15/h4-11H,3,12H2,1-2H3
InChIKeyPRXWBKHXWJEOLD-UHFFFAOYSA-N
MW294.35 g/mol
LogP4.19
Rot. Bonds5

About 5-[(4-ethylphenoxy)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole

5-[(4-ethylphenoxy)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole (PubChem CID 806936) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 5-[(4-ethylphenoxy)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(4-ethylphenoxy)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
PubChem CID806936
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name5-[(4-ethylphenoxy)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
SMILESCCc1ccc(OCc2nc(-c3ccc(C)cc3)no2)cc1
InChIInChI=1S/C18H18N2O2/c1-3-14-6-10-16(11-7-14)21-12-17-19-18(20-22-17)15-8-4-13(2)5-9-15/h4-11H,3,12H2,1-2H3
InChIKeyPRXWBKHXWJEOLD-UHFFFAOYSA-N
XLogP4.19
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-ethylphenoxy)methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 8895405
3-[4-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]propanoic acid
CID 75511310
3-(4-methylphenyl)-5-[(4-methylsulfonylphenoxy)methyl]-1,2,4-oxadiazole
CID 78803769
3-(4-methylphenyl)-5-[(4-nitrophenoxy)methyl]-1,2,4-oxadiazole
CID 974907
3-(4-ethylphenyl)-5-[(4-piperidin-1-ylsulfonylphenoxy)methyl]-1,2,4-oxadiazole
CID 60597298
5-[(4-fluorophenoxy)methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 2227874
5-[(3-methoxyphenoxy)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 3159105
[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-fluorophenoxy)acetate
CID 8601377
5-[(3,5-dimethylphenoxy)methyl]-3-(4-iodophenyl)-1,2,4-oxadiazole
CID 1252381
ethyl 2-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79474427
5-[(4-nitrophenoxy)methyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole
CID 19657979
5-[(2,5-difluorophenoxy)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 86890089

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethylphenoxy)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(4-ethylphenoxy)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole (CID 806936) is 5-[(4-ethylphenoxy)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(4-ethylphenoxy)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(4-ethylphenoxy)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole is CCc1ccc(OCc2nc(-c3ccc(C)cc3)no2)cc1.
What is the InChIKey of 5-[(4-ethylphenoxy)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is PRXWBKHXWJEOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-3-14-6-10-16(11-7-14)21-12-17-19-18(20-22-17)15-8-4-13(2)5-9-15/h4-11H,3,12H2,1-2H3.
What are the key properties of 5-[(4-ethylphenoxy)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole?
5-[(4-ethylphenoxy)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 294.35 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethylphenoxy)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 806936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).