3-(3-ethylphenyl)-5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazole

C20H18FN5O2 — CID 143823946

IUPAC3-(3-ethylphenyl)-5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazole
SMILESCCc1cccc(-c2noc(-c3nnn(-c4ccccc4F)c3COC)n2)c1
InChIInChI=1S/C20H18FN5O2/c1-3-13-7-6-8-14(11-13)19-22-20(28-24-19)18-17(12-27-2)26(25-23-18)16-10-5-4-9-15(16)21/h4-11H,3,12H2,1-2H3
InChIKeyNKCYKJHMJCFUNF-UHFFFAOYSA-N
MW379.40 g/mol
LogP3.83
Rot. Bonds6

About 3-(3-ethylphenyl)-5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazole

3-(3-ethylphenyl)-5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazole (PubChem CID 143823946) has the molecular formula C20H18FN5O2 and a molecular weight of 379.40 g/mol. Its IUPAC name is 3-(3-ethylphenyl)-5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-ethylphenyl)-5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazole
PubChem CID143823946
Molecular FormulaC20H18FN5O2
Molecular Weight379.40 g/mol
Exact Mass379.14
IUPAC Name3-(3-ethylphenyl)-5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazole
SMILESCCc1cccc(-c2noc(-c3nnn(-c4ccccc4F)c3COC)n2)c1
InChIInChI=1S/C20H18FN5O2/c1-3-13-7-6-8-14(11-13)19-22-20(28-24-19)18-17(12-27-2)26(25-23-18)16-10-5-4-9-15(16)21/h4-11H,3,12H2,1-2H3
InChIKeyNKCYKJHMJCFUNF-UHFFFAOYSA-N
XLogP3.83
TPSA78.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[1-(3-chloro-4-fluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-3-phenyl-1,2,4-oxadiazole
CID 16025520
5-[1-(2-ethylphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole
CID 16025550
5-[1-(2,5-difluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole
CID 16025552
3-(2,5-Difluorophenyl)-5-[5-(methoxymethyl)-1-phenylpyrazol-4-yl]-1,2,4-oxadiazole
CID 49835534
5-[1-(4-Ethylphenyl)-5-methyltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole
CID 16025522
5-[1-(2,5-Dimethylphenyl)-5-methyltriazol-4-yl]-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 16025530
5-{5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-4-yl}-3-phenyl-1,2,4-oxadiazole
CID 16025526
5-[1-(4-bromo-2-fluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 16025532
5-[1-(3,5-dimethylphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole
CID 16025556
5-[6-(4-Fluorophenyl)-4H,6H,7H-[1,2,3]triazolo[4,3-C][1,4]oxazin-3-YL]-3-phenyl-1,2,4-oxadiazole
CID 91889322
5-[6-(4-Fluorophenyl)-4H,6H,7H-[1,2,3]triazolo[4,3-C][1,4]oxazin-3-YL]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 91889324
5-[6-(4-Fluorophenyl)-4H,6H,7H-[1,2,3]triazolo[4,3-C][1,4]oxazin-3-YL]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 91889339

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylphenyl)-5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(3-ethylphenyl)-5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazole (CID 143823946) is 3-(3-ethylphenyl)-5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-ethylphenyl)-5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-ethylphenyl)-5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazole is CCc1cccc(-c2noc(-c3nnn(-c4ccccc4F)c3COC)n2)c1.
What is the InChIKey of 3-(3-ethylphenyl)-5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazole?
The InChIKey is NKCYKJHMJCFUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O2/c1-3-13-7-6-8-14(11-13)19-22-20(28-24-19)18-17(12-27-2)26(25-23-18)16-10-5-4-9-15(16)21/h4-11H,3,12H2,1-2H3.
What are the key properties of 3-(3-ethylphenyl)-5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazole?
3-(3-ethylphenyl)-5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazole has a molecular weight of 379.40 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylphenyl)-5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 143823946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).