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

C15H17N5O — CID 56908875

IUPAC5-[1-[(2-methylphenyl)methyl]triazol-4-yl]-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc(-c2cn(Cc3ccccc3C)nn2)n1
InChIInChI=1S/C15H17N5O/c1-3-6-14-16-15(21-18-14)13-10-20(19-17-13)9-12-8-5-4-7-11(12)2/h4-5,7-8,10H,3,6,9H2,1-2H3
InChIKeyJJGHYOMHZODVPA-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.64
Rot. Bonds5

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

5-[1-[(2-methylphenyl)methyl]triazol-4-yl]-3-propyl-1,2,4-oxadiazole (PubChem CID 56908875) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is 5-[1-[(2-methylphenyl)methyl]triazol-4-yl]-3-propyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-[(2-methylphenyl)methyl]triazol-4-yl]-3-propyl-1,2,4-oxadiazole
PubChem CID56908875
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC Name5-[1-[(2-methylphenyl)methyl]triazol-4-yl]-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc(-c2cn(Cc3ccccc3C)nn2)n1
InChIInChI=1S/C15H17N5O/c1-3-6-14-16-15(21-18-14)13-10-20(19-17-13)9-12-8-5-4-7-11(12)2/h4-5,7-8,10H,3,6,9H2,1-2H3
InChIKeyJJGHYOMHZODVPA-UHFFFAOYSA-N
XLogP2.64
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(2-methylphenyl)methyl]triazol-4-yl]-3-propyl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-[(2-methylphenyl)methyl]triazol-4-yl]-3-propyl-1,2,4-oxadiazole (CID 56908875) is 5-[1-[(2-methylphenyl)methyl]triazol-4-yl]-3-propyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-[(2-methylphenyl)methyl]triazol-4-yl]-3-propyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-[(2-methylphenyl)methyl]triazol-4-yl]-3-propyl-1,2,4-oxadiazole is CCCc1noc(-c2cn(Cc3ccccc3C)nn2)n1.
What is the InChIKey of 5-[1-[(2-methylphenyl)methyl]triazol-4-yl]-3-propyl-1,2,4-oxadiazole?
The InChIKey is JJGHYOMHZODVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-3-6-14-16-15(21-18-14)13-10-20(19-17-13)9-12-8-5-4-7-11(12)2/h4-5,7-8,10H,3,6,9H2,1-2H3.
What are the key properties of 5-[1-[(2-methylphenyl)methyl]triazol-4-yl]-3-propyl-1,2,4-oxadiazole?
5-[1-[(2-methylphenyl)methyl]triazol-4-yl]-3-propyl-1,2,4-oxadiazole has a molecular weight of 283.33 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(2-methylphenyl)methyl]triazol-4-yl]-3-propyl-1,2,4-oxadiazole is sourced from PubChem (CID 56908875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).