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

C16H18N6O3 — CID 86263618

IUPAC2-ethoxy-N-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]benzamide
SMILESCCOc1ccccc1C(=O)NCCn1cc(-c2nc(C)no2)nn1
InChIInChI=1S/C16H18N6O3/c1-3-24-14-7-5-4-6-12(14)15(23)17-8-9-22-10-13(19-21-22)16-18-11(2)20-25-16/h4-7,10H,3,8-9H2,1-2H3,(H,17,23)
InChIKeyKKIRKNWJLRHBDQ-UHFFFAOYSA-N
MW342.36 g/mol
LogP1.47
Rot. Bonds7

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

2-ethoxy-N-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]benzamide (PubChem CID 86263618) has the molecular formula C16H18N6O3 and a molecular weight of 342.36 g/mol. Its IUPAC name is 2-ethoxy-N-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]benzamide
PubChem CID86263618
Molecular FormulaC16H18N6O3
Molecular Weight342.36 g/mol
Exact Mass342.14
IUPAC Name2-ethoxy-N-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]benzamide
SMILESCCOc1ccccc1C(=O)NCCn1cc(-c2nc(C)no2)nn1
InChIInChI=1S/C16H18N6O3/c1-3-24-14-7-5-4-6-12(14)15(23)17-8-9-22-10-13(19-21-22)16-18-11(2)20-25-16/h4-7,10H,3,8-9H2,1-2H3,(H,17,23)
InChIKeyKKIRKNWJLRHBDQ-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-ethoxy-N-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methoxyphenyl)-N-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]acetamide
CID 86263615
2-fluoro-N-[2-[4-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]benzamide
CID 91813258
2-ethoxy-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 50755930
2-ethoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide
CID 90588583
2-ethoxy-N-[2-(4-ethoxyphenoxy)ethyl]benzamide
CID 27853054
2-ethoxy-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]benzamide
CID 16905515
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-ethoxybenzamide
CID 35525612
2-ethoxy-N-(2-hydroxyethyl)benzamide
CID 4088522
2-ethoxy-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
CID 90562020
2-ethoxy-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
CID 119508383
N-[2-[(2-ethoxybenzoyl)amino]ethyl]-3-[(4-iodopyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 17084970
N-[2-(ethylamino)ethyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 119507620

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]benzamide?
The IUPAC name of 2-ethoxy-N-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]benzamide (CID 86263618) is 2-ethoxy-N-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]benzamide is CCOc1ccccc1C(=O)NCCn1cc(-c2nc(C)no2)nn1.
What is the InChIKey of 2-ethoxy-N-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]benzamide?
The InChIKey is KKIRKNWJLRHBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O3/c1-3-24-14-7-5-4-6-12(14)15(23)17-8-9-22-10-13(19-21-22)16-18-11(2)20-25-16/h4-7,10H,3,8-9H2,1-2H3,(H,17,23).
What are the key properties of 2-ethoxy-N-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]benzamide?
2-ethoxy-N-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]benzamide has a molecular weight of 342.36 g/mol, XLogP of 1.47, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]benzamide is sourced from PubChem (CID 86263618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).