N,N-diethyl-2-[4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]acetamide

C17H20N6O2 — CID 56896897

IUPACN,N-diethyl-2-[4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]acetamide
SMILESCCN(CC)C(=O)Cn1cc(-c2nc(-c3ccccc3C)no2)nn1
InChIInChI=1S/C17H20N6O2/c1-4-22(5-2)15(24)11-23-10-14(19-21-23)17-18-16(20-25-17)13-9-7-6-8-12(13)3/h6-10H,4-5,11H2,1-3H3
InChIKeyIPJXQZPWYQVDKE-UHFFFAOYSA-N
MW340.39 g/mol
LogP2.17
Rot. Bonds6

About N,N-diethyl-2-[4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]acetamide

N,N-diethyl-2-[4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]acetamide (PubChem CID 56896897) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is N,N-diethyl-2-[4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]acetamide
PubChem CID56896897
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC NameN,N-diethyl-2-[4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]acetamide
SMILESCCN(CC)C(=O)Cn1cc(-c2nc(-c3ccccc3C)no2)nn1
InChIInChI=1S/C17H20N6O2/c1-4-22(5-2)15(24)11-23-10-14(19-21-23)17-18-16(20-25-17)13-9-7-6-8-12(13)3/h6-10H,4-5,11H2,1-3H3
InChIKeyIPJXQZPWYQVDKE-UHFFFAOYSA-N
XLogP2.17
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]acetamide (CID 56896897) is N,N-diethyl-2-[4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]acetamide is CCN(CC)C(=O)Cn1cc(-c2nc(-c3ccccc3C)no2)nn1.
What is the InChIKey of N,N-diethyl-2-[4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]acetamide?
The InChIKey is IPJXQZPWYQVDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-4-22(5-2)15(24)11-23-10-14(19-21-23)17-18-16(20-25-17)13-9-7-6-8-12(13)3/h6-10H,4-5,11H2,1-3H3.
What are the key properties of N,N-diethyl-2-[4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]acetamide?
N,N-diethyl-2-[4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]acetamide has a molecular weight of 340.39 g/mol, XLogP of 2.17, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]acetamide is sourced from PubChem (CID 56896897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).