5-[1-(4-ethoxyphenoxy)ethyl]-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole

C19H19FN2O3 — CID 112815966

IUPAC5-[1-(4-ethoxyphenoxy)ethyl]-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole
SMILESCCOc1ccc(OC(C)c2nc(-c3ccc(C)c(F)c3)no2)cc1
InChIInChI=1S/C19H19FN2O3/c1-4-23-15-7-9-16(10-8-15)24-13(3)19-21-18(22-25-19)14-6-5-12(2)17(20)11-14/h5-11,13H,4H2,1-3H3
InChIKeyIWZJTIUUVCPZAG-UHFFFAOYSA-N
MW342.37 g/mol
LogP4.72
Rot. Bonds6

About 5-[1-(4-ethoxyphenoxy)ethyl]-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole

5-[1-(4-ethoxyphenoxy)ethyl]-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole (PubChem CID 112815966) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is 5-[1-(4-ethoxyphenoxy)ethyl]-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(4-ethoxyphenoxy)ethyl]-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole
PubChem CID112815966
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC Name5-[1-(4-ethoxyphenoxy)ethyl]-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole
SMILESCCOc1ccc(OC(C)c2nc(-c3ccc(C)c(F)c3)no2)cc1
InChIInChI=1S/C19H19FN2O3/c1-4-23-15-7-9-16(10-8-15)24-13(3)19-21-18(22-25-19)14-6-5-12(2)17(20)11-14/h5-11,13H,4H2,1-3H3
InChIKeyIWZJTIUUVCPZAG-UHFFFAOYSA-N
XLogP4.72
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl 2-(4-bromophenoxy)acetate
CID 46538254
1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl 3-ethoxy-4-methoxybenzoate
CID 55537335
5-[1-(4-methylphenoxy)ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 17383688
(1S)-1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine;hydrochloride
CID 119947990
1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride
CID 71756178
3-(4-chlorophenyl)-5-[1-(3,4-dimethylphenoxy)ethyl]-1,2,4-oxadiazole
CID 19658029
[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl (2S)-2-[(4-ethoxybenzoyl)amino]-3-methylbutanoate
CID 55942342
5-[(1S)-1-(4-methoxyphenoxy)ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 925226
3-(3,4-dimethoxyphenyl)-5-[1-(4-methylphenoxy)ethyl]-1,2,4-oxadiazole
CID 3160232
1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl 6-chloropyridine-3-carboxylate
CID 55546930
3-(3-fluoro-4-methylphenyl)-5-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]-1,2,4-oxadiazole
CID 51333661
5-[1-(4-ethoxyphenoxy)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 78853239

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-ethoxyphenoxy)ethyl]-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(4-ethoxyphenoxy)ethyl]-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole (CID 112815966) is 5-[1-(4-ethoxyphenoxy)ethyl]-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(4-ethoxyphenoxy)ethyl]-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(4-ethoxyphenoxy)ethyl]-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole is CCOc1ccc(OC(C)c2nc(-c3ccc(C)c(F)c3)no2)cc1.
What is the InChIKey of 5-[1-(4-ethoxyphenoxy)ethyl]-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is IWZJTIUUVCPZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3/c1-4-23-15-7-9-16(10-8-15)24-13(3)19-21-18(22-25-19)14-6-5-12(2)17(20)11-14/h5-11,13H,4H2,1-3H3.
What are the key properties of 5-[1-(4-ethoxyphenoxy)ethyl]-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole?
5-[1-(4-ethoxyphenoxy)ethyl]-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 342.37 g/mol, XLogP of 4.72, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-ethoxyphenoxy)ethyl]-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 112815966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).