5-(3,5-dimethoxyphenyl)-3-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-1,2,4-oxadiazole

C20H19N5O3 — CID 53170093

IUPAC5-(3,5-dimethoxyphenyl)-3-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-1,2,4-oxadiazole
SMILESCOc1cc(OC)cc(-c2nc(-c3nnn(-c4ccc(C)cc4)c3C)no2)c1
InChIInChI=1S/C20H19N5O3/c1-12-5-7-15(8-6-12)25-13(2)18(22-24-25)19-21-20(28-23-19)14-9-16(26-3)11-17(10-14)27-4/h5-11H,1-4H3
InChIKeyIUTMROCHQBBKIB-UHFFFAOYSA-N
MW377.40 g/mol
LogP3.62
Rot. Bonds5

About 5-(3,5-dimethoxyphenyl)-3-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-1,2,4-oxadiazole

5-(3,5-dimethoxyphenyl)-3-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-1,2,4-oxadiazole (PubChem CID 53170093) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is 5-(3,5-dimethoxyphenyl)-3-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3,5-dimethoxyphenyl)-3-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-1,2,4-oxadiazole
PubChem CID53170093
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC Name5-(3,5-dimethoxyphenyl)-3-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-1,2,4-oxadiazole
SMILESCOc1cc(OC)cc(-c2nc(-c3nnn(-c4ccc(C)cc4)c3C)no2)c1
InChIInChI=1S/C20H19N5O3/c1-12-5-7-15(8-6-12)25-13(2)18(22-24-25)19-21-20(28-23-19)14-9-16(26-3)11-17(10-14)27-4/h5-11H,1-4H3
InChIKeyIUTMROCHQBBKIB-UHFFFAOYSA-N
XLogP3.62
TPSA88.09 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethoxyphenyl)-3-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-(3,5-dimethoxyphenyl)-3-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-1,2,4-oxadiazole (CID 53170093) is 5-(3,5-dimethoxyphenyl)-3-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3,5-dimethoxyphenyl)-3-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(3,5-dimethoxyphenyl)-3-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-1,2,4-oxadiazole is COc1cc(OC)cc(-c2nc(-c3nnn(-c4ccc(C)cc4)c3C)no2)c1.
What is the InChIKey of 5-(3,5-dimethoxyphenyl)-3-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-1,2,4-oxadiazole?
The InChIKey is IUTMROCHQBBKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3/c1-12-5-7-15(8-6-12)25-13(2)18(22-24-25)19-21-20(28-23-19)14-9-16(26-3)11-17(10-14)27-4/h5-11H,1-4H3.
What are the key properties of 5-(3,5-dimethoxyphenyl)-3-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-1,2,4-oxadiazole?
5-(3,5-dimethoxyphenyl)-3-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-1,2,4-oxadiazole has a molecular weight of 377.40 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethoxyphenyl)-3-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 53170093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).