3-(2,3-dimethylphenyl)-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine

C19H18N6O — CID 20904472

IUPAC3-(2,3-dimethylphenyl)-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine
SMILESCc1ccccc1-c1noc(-c2nnn(-c3cccc(C)c3C)c2N)n1
InChIInChI=1S/C19H18N6O/c1-11-8-6-10-15(13(11)3)25-17(20)16(22-24-25)19-21-18(23-26-19)14-9-5-4-7-12(14)2/h4-10H,20H2,1-3H3
InChIKeyHCFXJPFZBVNDHW-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.49
Rot. Bonds3

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

3-(2,3-dimethylphenyl)-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine (PubChem CID 20904472) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is 3-(2,3-dimethylphenyl)-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine.

Molecular Properties

Compound Name3-(2,3-dimethylphenyl)-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine
PubChem CID20904472
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC Name3-(2,3-dimethylphenyl)-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine
SMILESCc1ccccc1-c1noc(-c2nnn(-c3cccc(C)c3C)c2N)n1
InChIInChI=1S/C19H18N6O/c1-11-8-6-10-15(13(11)3)25-17(20)16(22-24-25)19-21-18(23-26-19)14-9-5-4-7-12(14)2/h4-10H,20H2,1-3H3
InChIKeyHCFXJPFZBVNDHW-UHFFFAOYSA-N
XLogP3.49
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylphenyl)-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine?
The IUPAC name of 3-(2,3-dimethylphenyl)-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine (CID 20904472) is 3-(2,3-dimethylphenyl)-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine.
What is the SMILES notation for 3-(2,3-dimethylphenyl)-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine?
The canonical SMILES for 3-(2,3-dimethylphenyl)-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine is Cc1ccccc1-c1noc(-c2nnn(-c3cccc(C)c3C)c2N)n1.
What is the InChIKey of 3-(2,3-dimethylphenyl)-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine?
The InChIKey is HCFXJPFZBVNDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c1-11-8-6-10-15(13(11)3)25-17(20)16(22-24-25)19-21-18(23-26-19)14-9-5-4-7-12(14)2/h4-10H,20H2,1-3H3.
What are the key properties of 3-(2,3-dimethylphenyl)-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine?
3-(2,3-dimethylphenyl)-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine has a molecular weight of 346.39 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylphenyl)-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine is sourced from PubChem (CID 20904472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).