2-(2-methoxyphenyl)-N-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]acetamide

C16H18N6O3 — CID 86263615

IUPAC2-(2-methoxyphenyl)-N-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]acetamide
SMILESCOc1ccccc1CC(=O)NCCn1cc(-c2nc(C)no2)nn1
InChIInChI=1S/C16H18N6O3/c1-11-18-16(25-20-11)13-10-22(21-19-13)8-7-17-15(23)9-12-5-3-4-6-14(12)24-2/h3-6,10H,7-9H2,1-2H3,(H,17,23)
InChIKeyVJNLCHCMJPPCJR-UHFFFAOYSA-N
MW342.36 g/mol
LogP1.00
Rot. Bonds7

About 2-(2-methoxyphenyl)-N-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]acetamide

2-(2-methoxyphenyl)-N-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]acetamide (PubChem CID 86263615) has the molecular formula C16H18N6O3 and a molecular weight of 342.36 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-N-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-N-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]acetamide
PubChem CID86263615
Molecular FormulaC16H18N6O3
Molecular Weight342.36 g/mol
Exact Mass342.14
IUPAC Name2-(2-methoxyphenyl)-N-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]acetamide
SMILESCOc1ccccc1CC(=O)NCCn1cc(-c2nc(C)no2)nn1
InChIInChI=1S/C16H18N6O3/c1-11-18-16(25-20-11)13-10-22(21-19-13)8-7-17-15(23)9-12-5-3-4-6-14(12)24-2/h3-6,10H,7-9H2,1-2H3,(H,17,23)
InChIKeyVJNLCHCMJPPCJR-UHFFFAOYSA-N
XLogP1.00
TPSA107.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-ethoxy-N-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]benzamide
CID 86263618
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CID 91624283
2-(2-methoxyphenyl)-1-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]ethanone
CID 91891758
2-(2-methoxyphenyl)-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide
CID 47235328
1-[2-[[2-(2-methoxyphenyl)acetyl]amino]ethyl]-N-(1-thiophen-2-ylethyl)triazole-4-carboxamide
CID 45190447
1-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]-N-[(2-fluorophenyl)methyl]triazole-4-carboxamide
CID 26326355
N-[2-(4-methoxyphenoxy)ethyl]-2-(2-methoxyphenyl)acetamide
CID 18119172
N-(2-hydroxyethyl)-2-(2-methoxyphenyl)acetamide
CID 43388864
N-ethyl-2-(2-methoxyphenyl)acetamide
CID 3376729
2-(2-methoxyphenyl)-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]acetamide
CID 90515649
(3S)-N-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 100686959
(3R)-N-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 100686947

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-N-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]acetamide?
The IUPAC name of 2-(2-methoxyphenyl)-N-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]acetamide (CID 86263615) is 2-(2-methoxyphenyl)-N-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]acetamide.
What is the SMILES notation for 2-(2-methoxyphenyl)-N-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]acetamide?
The canonical SMILES for 2-(2-methoxyphenyl)-N-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]acetamide is COc1ccccc1CC(=O)NCCn1cc(-c2nc(C)no2)nn1.
What is the InChIKey of 2-(2-methoxyphenyl)-N-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]acetamide?
The InChIKey is VJNLCHCMJPPCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O3/c1-11-18-16(25-20-11)13-10-22(21-19-13)8-7-17-15(23)9-12-5-3-4-6-14(12)24-2/h3-6,10H,7-9H2,1-2H3,(H,17,23).
What are the key properties of 2-(2-methoxyphenyl)-N-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]acetamide?
2-(2-methoxyphenyl)-N-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]acetamide has a molecular weight of 342.36 g/mol, XLogP of 1.00, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-N-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]acetamide is sourced from PubChem (CID 86263615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).