3-(2-ethylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-4-amine

C18H16N6O — CID 20904364

IUPAC3-(2-ethylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-4-amine
SMILESCCc1ccccc1-n1nnc(-c2nc(-c3ccccc3)no2)c1N
InChIInChI=1S/C18H16N6O/c1-2-12-8-6-7-11-14(12)24-16(19)15(21-23-24)18-20-17(22-25-18)13-9-4-3-5-10-13/h3-11H,2,19H2,1H3
InChIKeyUMCOFIWXPCETJD-UHFFFAOYSA-N
MW332.37 g/mol
LogP3.13
Rot. Bonds4

About 3-(2-ethylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-4-amine

3-(2-ethylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-4-amine (PubChem CID 20904364) has the molecular formula C18H16N6O and a molecular weight of 332.37 g/mol. Its IUPAC name is 3-(2-ethylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-4-amine.

Molecular Properties

Compound Name3-(2-ethylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-4-amine
PubChem CID20904364
Molecular FormulaC18H16N6O
Molecular Weight332.37 g/mol
Exact Mass332.14
IUPAC Name3-(2-ethylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-4-amine
SMILESCCc1ccccc1-n1nnc(-c2nc(-c3ccccc3)no2)c1N
InChIInChI=1S/C18H16N6O/c1-2-12-8-6-7-11-14(12)24-16(19)15(21-23-24)18-20-17(22-25-18)13-9-4-3-5-10-13/h3-11H,2,19H2,1H3
InChIKeyUMCOFIWXPCETJD-UHFFFAOYSA-N
XLogP3.13
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(2-ethylphenyl)-5-(3-phenyl-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

5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-phenyltriazol-4-amine
CID 20904427
3-benzyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-4-amine
CID 94943137
3-(2-chlorophenyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine
CID 7185189
methyl 2-[5-amino-4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]acetate
CID 82202834
3-(3-chloro-2-methylphenyl)-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine
CID 18591826
3-(2,3-dimethylphenyl)-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine
CID 20904472
5-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-3-(2-fluorophenyl)triazol-4-amine
CID 7184943
3-(2-ethoxyphenyl)-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine
CID 7470734
2-[5-amino-4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]-N-phenylacetamide
CID 15988295
3-(2-ethoxyphenyl)-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine
CID 20904536
3-(4-ethoxyphenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine
CID 7185254
3-(2,5-dimethoxyphenyl)-5-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine
CID 18591859

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-4-amine?
The IUPAC name of 3-(2-ethylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-4-amine (CID 20904364) is 3-(2-ethylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-4-amine.
What is the SMILES notation for 3-(2-ethylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-4-amine?
The canonical SMILES for 3-(2-ethylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-4-amine is CCc1ccccc1-n1nnc(-c2nc(-c3ccccc3)no2)c1N.
What is the InChIKey of 3-(2-ethylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-4-amine?
The InChIKey is UMCOFIWXPCETJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O/c1-2-12-8-6-7-11-14(12)24-16(19)15(21-23-24)18-20-17(22-25-18)13-9-4-3-5-10-13/h3-11H,2,19H2,1H3.
What are the key properties of 3-(2-ethylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-4-amine?
3-(2-ethylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-4-amine has a molecular weight of 332.37 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-4-amine is sourced from PubChem (CID 20904364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).