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

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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).