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

C17H14N6O — CID 20904427

IUPAC5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-phenyltriazol-4-amine
SMILESCc1ccc(-c2noc(-c3nnn(-c4ccccc4)c3N)n2)cc1
InChIInChI=1S/C17H14N6O/c1-11-7-9-12(10-8-11)16-19-17(24-21-16)14-15(18)23(22-20-14)13-5-3-2-4-6-13/h2-10H,18H2,1H3
InChIKeyMHUYBMZTTGXAFI-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.87
Rot. Bonds3

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

5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-phenyltriazol-4-amine (PubChem CID 20904427) has the molecular formula C17H14N6O and a molecular weight of 318.34 g/mol. Its IUPAC name is 5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-phenyltriazol-4-amine.

Molecular Properties

Compound Name5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-phenyltriazol-4-amine
PubChem CID20904427
Molecular FormulaC17H14N6O
Molecular Weight318.34 g/mol
Exact Mass318.12
IUPAC Name5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-phenyltriazol-4-amine
SMILESCc1ccc(-c2noc(-c3nnn(-c4ccccc4)c3N)n2)cc1
InChIInChI=1S/C17H14N6O/c1-11-7-9-12(10-8-11)16-19-17(24-21-16)14-15(18)23(22-20-14)13-5-3-2-4-6-13/h2-10H,18H2,1H3
InChIKeyMHUYBMZTTGXAFI-UHFFFAOYSA-N
XLogP2.87
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(4-methylphenyl)-5-(5-methyl-1-phenyltriazol-4-yl)-1,2,4-oxadiazole
CID 17015661
3-(3-methylphenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine
CID 20904392
5-(4-methylphenyl)-3-phenyltriazol-4-amine
CID 82370748
3-methyl-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine
CID 82207947
5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-phenyltriazol-4-amine
CID 7470703
3-(2-ethylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-4-amine
CID 20904364
3-(4-bromophenyl)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine
CID 16833201
5-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-3-(3-methylphenyl)triazol-4-amine
CID 20904366
3-(4-methoxyphenyl)-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine
CID 20904477
5-[1-(4-bromophenyl)-5-methyltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole
CID 20937913
5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 20937970
5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-(3,4-dimethoxyphenyl)triazol-4-amine
CID 7183538

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-phenyltriazol-4-amine?
The IUPAC name of 5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-phenyltriazol-4-amine (CID 20904427) is 5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-phenyltriazol-4-amine.
What is the SMILES notation for 5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-phenyltriazol-4-amine?
The canonical SMILES for 5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-phenyltriazol-4-amine is Cc1ccc(-c2noc(-c3nnn(-c4ccccc4)c3N)n2)cc1.
What is the InChIKey of 5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-phenyltriazol-4-amine?
The InChIKey is MHUYBMZTTGXAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O/c1-11-7-9-12(10-8-11)16-19-17(24-21-16)14-15(18)23(22-20-14)13-5-3-2-4-6-13/h2-10H,18H2,1H3.
What are the key properties of 5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-phenyltriazol-4-amine?
5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-phenyltriazol-4-amine has a molecular weight of 318.34 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-phenyltriazol-4-amine is sourced from PubChem (CID 20904427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).