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

C15H17N5O2 — CID 56891263

IUPAC3-(2-methoxyethyl)-5-[1-[(2-methylphenyl)methyl]triazol-4-yl]-1,2,4-oxadiazole
SMILESCOCCc1noc(-c2cn(Cc3ccccc3C)nn2)n1
InChIInChI=1S/C15H17N5O2/c1-11-5-3-4-6-12(11)9-20-10-13(17-19-20)15-16-14(18-22-15)7-8-21-2/h3-6,10H,7-9H2,1-2H3
InChIKeyDBVWSLPCICFLNZ-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.87
Rot. Bonds6

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

3-(2-methoxyethyl)-5-[1-[(2-methylphenyl)methyl]triazol-4-yl]-1,2,4-oxadiazole (PubChem CID 56891263) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-5-[1-[(2-methylphenyl)methyl]triazol-4-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-methoxyethyl)-5-[1-[(2-methylphenyl)methyl]triazol-4-yl]-1,2,4-oxadiazole
PubChem CID56891263
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name3-(2-methoxyethyl)-5-[1-[(2-methylphenyl)methyl]triazol-4-yl]-1,2,4-oxadiazole
SMILESCOCCc1noc(-c2cn(Cc3ccccc3C)nn2)n1
InChIInChI=1S/C15H17N5O2/c1-11-5-3-4-6-12(11)9-20-10-13(17-19-20)15-16-14(18-22-15)7-8-21-2/h3-6,10H,7-9H2,1-2H3
InChIKeyDBVWSLPCICFLNZ-UHFFFAOYSA-N
XLogP1.87
TPSA78.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-5-[1-[(2-methylphenyl)methyl]triazol-4-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(2-methoxyethyl)-5-[1-[(2-methylphenyl)methyl]triazol-4-yl]-1,2,4-oxadiazole (CID 56891263) is 3-(2-methoxyethyl)-5-[1-[(2-methylphenyl)methyl]triazol-4-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-methoxyethyl)-5-[1-[(2-methylphenyl)methyl]triazol-4-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-methoxyethyl)-5-[1-[(2-methylphenyl)methyl]triazol-4-yl]-1,2,4-oxadiazole is COCCc1noc(-c2cn(Cc3ccccc3C)nn2)n1.
What is the InChIKey of 3-(2-methoxyethyl)-5-[1-[(2-methylphenyl)methyl]triazol-4-yl]-1,2,4-oxadiazole?
The InChIKey is DBVWSLPCICFLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-11-5-3-4-6-12(11)9-20-10-13(17-19-20)15-16-14(18-22-15)7-8-21-2/h3-6,10H,7-9H2,1-2H3.
What are the key properties of 3-(2-methoxyethyl)-5-[1-[(2-methylphenyl)methyl]triazol-4-yl]-1,2,4-oxadiazole?
3-(2-methoxyethyl)-5-[1-[(2-methylphenyl)methyl]triazol-4-yl]-1,2,4-oxadiazole has a molecular weight of 299.33 g/mol, XLogP of 1.87, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-5-[1-[(2-methylphenyl)methyl]triazol-4-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 56891263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).