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

C18H16N6O3 — CID 7185143

IUPAC3-(3,5-dimethoxyphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-4-amine
SMILESCOc1cc(OC)cc(-n2nnc(-c3nc(-c4ccccc4)no3)c2N)c1
InChIInChI=1S/C18H16N6O3/c1-25-13-8-12(9-14(10-13)26-2)24-16(19)15(21-23-24)18-20-17(22-27-18)11-6-4-3-5-7-11/h3-10H,19H2,1-2H3
InChIKeyXGFOORGALYZMKI-UHFFFAOYSA-N
MW364.37 g/mol
LogP2.58
Rot. Bonds5

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

3-(3,5-dimethoxyphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-4-amine (PubChem CID 7185143) has the molecular formula C18H16N6O3 and a molecular weight of 364.37 g/mol. Its IUPAC name is 3-(3,5-dimethoxyphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-4-amine.

Molecular Properties

Compound Name3-(3,5-dimethoxyphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-4-amine
PubChem CID7185143
Molecular FormulaC18H16N6O3
Molecular Weight364.37 g/mol
Exact Mass364.13
IUPAC Name3-(3,5-dimethoxyphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-4-amine
SMILESCOc1cc(OC)cc(-n2nnc(-c3nc(-c4ccccc4)no3)c2N)c1
InChIInChI=1S/C18H16N6O3/c1-25-13-8-12(9-14(10-13)26-2)24-16(19)15(21-23-24)18-20-17(22-27-18)11-6-4-3-5-7-11/h3-10H,19H2,1-2H3
InChIKeyXGFOORGALYZMKI-UHFFFAOYSA-N
XLogP2.58
TPSA114.11 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-(3,5-dimethoxyphenyl)-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

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethoxyphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-4-amine?
The IUPAC name of 3-(3,5-dimethoxyphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-4-amine (CID 7185143) is 3-(3,5-dimethoxyphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-4-amine.
What is the SMILES notation for 3-(3,5-dimethoxyphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-4-amine?
The canonical SMILES for 3-(3,5-dimethoxyphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-4-amine is COc1cc(OC)cc(-n2nnc(-c3nc(-c4ccccc4)no3)c2N)c1.
What is the InChIKey of 3-(3,5-dimethoxyphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-4-amine?
The InChIKey is XGFOORGALYZMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O3/c1-25-13-8-12(9-14(10-13)26-2)24-16(19)15(21-23-24)18-20-17(22-27-18)11-6-4-3-5-7-11/h3-10H,19H2,1-2H3.
What are the key properties of 3-(3,5-dimethoxyphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-4-amine?
3-(3,5-dimethoxyphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-4-amine has a molecular weight of 364.37 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethoxyphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-4-amine is sourced from PubChem (CID 7185143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).