3-(2-ethoxyphenyl)-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine

C18H15FN6O2 — CID 7470734

IUPAC3-(2-ethoxyphenyl)-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine
SMILESCCOc1ccccc1-n1nnc(-c2nc(-c3ccccc3F)no2)c1N
InChIInChI=1S/C18H15FN6O2/c1-2-26-14-10-6-5-9-13(14)25-16(20)15(22-24-25)18-21-17(23-27-18)11-7-3-4-8-12(11)19/h3-10H,2,20H2,1H3
InChIKeyFFNMFHHLTMXRPG-UHFFFAOYSA-N
MW366.36 g/mol
LogP3.10
Rot. Bonds5

About 3-(2-ethoxyphenyl)-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine

3-(2-ethoxyphenyl)-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine (PubChem CID 7470734) has the molecular formula C18H15FN6O2 and a molecular weight of 366.36 g/mol. Its IUPAC name is 3-(2-ethoxyphenyl)-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine.

Molecular Properties

Compound Name3-(2-ethoxyphenyl)-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine
PubChem CID7470734
Molecular FormulaC18H15FN6O2
Molecular Weight366.36 g/mol
Exact Mass366.12
IUPAC Name3-(2-ethoxyphenyl)-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine
SMILESCCOc1ccccc1-n1nnc(-c2nc(-c3ccccc3F)no2)c1N
InChIInChI=1S/C18H15FN6O2/c1-2-26-14-10-6-5-9-13(14)25-16(20)15(22-24-25)18-21-17(23-27-18)11-7-3-4-8-12(11)19/h3-10H,2,20H2,1H3
InChIKeyFFNMFHHLTMXRPG-UHFFFAOYSA-N
XLogP3.10
TPSA104.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-(2-ethoxyphenyl)-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-ethoxyphenyl)-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine
CID 20904536
3-(2,3-dimethylphenyl)-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine
CID 20904403
5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-phenyltriazol-4-amine
CID 7470703
3-(3-ethylphenyl)-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine
CID 7470737
3-(2,3-dimethylphenyl)-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine
CID 20904472
3-(2-ethylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-4-amine
CID 20904364
2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine
CID 115533010
3-(4-methoxyphenyl)-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine
CID 20904477
3-(2,5-dimethoxyphenyl)-5-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine
CID 18591859
5-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-3-(2-fluorophenyl)triazol-4-amine
CID 7184943
3-(2,4-difluorophenyl)-5-[5-(methoxymethyl)-1-(2-methylphenyl)triazol-4-yl]-1,2,4-oxadiazole
CID 135245913
5-[1-(3-chloro-4-methoxyphenyl)-5-methyltriazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole
CID 8721572

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyphenyl)-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine?
The IUPAC name of 3-(2-ethoxyphenyl)-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine (CID 7470734) is 3-(2-ethoxyphenyl)-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine.
What is the SMILES notation for 3-(2-ethoxyphenyl)-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine?
The canonical SMILES for 3-(2-ethoxyphenyl)-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine is CCOc1ccccc1-n1nnc(-c2nc(-c3ccccc3F)no2)c1N.
What is the InChIKey of 3-(2-ethoxyphenyl)-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine?
The InChIKey is FFNMFHHLTMXRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN6O2/c1-2-26-14-10-6-5-9-13(14)25-16(20)15(22-24-25)18-21-17(23-27-18)11-7-3-4-8-12(11)19/h3-10H,2,20H2,1H3.
What are the key properties of 3-(2-ethoxyphenyl)-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine?
3-(2-ethoxyphenyl)-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine has a molecular weight of 366.36 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyphenyl)-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine is sourced from PubChem (CID 7470734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).