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

C17H16N2O3 — CID 2953085

IUPAC5-[1-(4-methoxyphenoxy)ethyl]-3-phenyl-1,2,4-oxadiazole
SMILESCOc1ccc(OC(C)c2nc(-c3ccccc3)no2)cc1
InChIInChI=1S/C17H16N2O3/c1-12(21-15-10-8-14(20-2)9-11-15)17-18-16(19-22-17)13-6-4-3-5-7-13/h3-12H,1-2H3
InChIKeyDAIPTNBTEJEIJJ-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.89
Rot. Bonds5

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

5-[1-(4-methoxyphenoxy)ethyl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 2953085) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 5-[1-(4-methoxyphenoxy)ethyl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(4-methoxyphenoxy)ethyl]-3-phenyl-1,2,4-oxadiazole
PubChem CID2953085
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name5-[1-(4-methoxyphenoxy)ethyl]-3-phenyl-1,2,4-oxadiazole
SMILESCOc1ccc(OC(C)c2nc(-c3ccccc3)no2)cc1
InChIInChI=1S/C17H16N2O3/c1-12(21-15-10-8-14(20-2)9-11-15)17-18-16(19-22-17)13-6-4-3-5-7-13/h3-12H,1-2H3
InChIKeyDAIPTNBTEJEIJJ-UHFFFAOYSA-N
XLogP3.89
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methoxyphenyl)-5-(1-phenoxyethyl)-1,2,4-oxadiazole
CID 4312065
3-(3-methoxyphenyl)-5-[(1R)-1-phenoxyethyl]-1,2,4-oxadiazole
CID 7356906
5-[(1S)-1-(4-methoxyphenoxy)ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 925226
3-(4-chlorophenyl)-5-[1-(4-methoxyphenoxy)ethyl]-1,2,4-oxadiazole
CID 3159112
5-[1-(4-methylphenoxy)ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 17383688
N-[4-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethoxy]phenyl]acetamide
CID 95788948
3-(3,4-dimethoxyphenyl)-5-[(1S)-1-(4-methoxyphenoxy)ethyl]-1,2,4-oxadiazole
CID 2203125
5-[(1R)-1-(4-methylphenoxy)ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 7233187
3-(3,4-dimethoxyphenyl)-5-[1-(4-methylphenoxy)ethyl]-1,2,4-oxadiazole
CID 3160232
5-[(1S)-1-(3-chlorophenoxy)ethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 7385204
5-[1-(4-tert-butylphenoxy)ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 2960917
1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 55137901

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-methoxyphenoxy)ethyl]-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(4-methoxyphenoxy)ethyl]-3-phenyl-1,2,4-oxadiazole (CID 2953085) is 5-[1-(4-methoxyphenoxy)ethyl]-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(4-methoxyphenoxy)ethyl]-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(4-methoxyphenoxy)ethyl]-3-phenyl-1,2,4-oxadiazole is COc1ccc(OC(C)c2nc(-c3ccccc3)no2)cc1.
What is the InChIKey of 5-[1-(4-methoxyphenoxy)ethyl]-3-phenyl-1,2,4-oxadiazole?
The InChIKey is DAIPTNBTEJEIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-12(21-15-10-8-14(20-2)9-11-15)17-18-16(19-22-17)13-6-4-3-5-7-13/h3-12H,1-2H3.
What are the key properties of 5-[1-(4-methoxyphenoxy)ethyl]-3-phenyl-1,2,4-oxadiazole?
5-[1-(4-methoxyphenoxy)ethyl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 296.33 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-methoxyphenoxy)ethyl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 2953085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).