N-[2-(2-methylcyclohexyl)oxyethyl]-2-[4-(3-methyl-1,2-oxazol-5-yl)triazol-1-yl]acetamide

C17H25N5O3 — CID 167759058

IUPACN-[2-(2-methylcyclohexyl)oxyethyl]-2-[4-(3-methyl-1,2-oxazol-5-yl)triazol-1-yl]acetamide
SMILESCc1cc(-c2cn(CC(=O)NCCOC3CCCCC3C)nn2)on1
InChIInChI=1S/C17H25N5O3/c1-12-5-3-4-6-15(12)24-8-7-18-17(23)11-22-10-14(19-21-22)16-9-13(2)20-25-16/h9-10,12,15H,3-8,11H2,1-2H3,(H,18,23)
InChIKeyYRJNYMSOVJGEEA-UHFFFAOYSA-N
MW347.42 g/mol
LogP1.95
Rot. Bonds7

About N-[2-(2-methylcyclohexyl)oxyethyl]-2-[4-(3-methyl-1,2-oxazol-5-yl)triazol-1-yl]acetamide

N-[2-(2-methylcyclohexyl)oxyethyl]-2-[4-(3-methyl-1,2-oxazol-5-yl)triazol-1-yl]acetamide (PubChem CID 167759058) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[2-(2-methylcyclohexyl)oxyethyl]-2-[4-(3-methyl-1,2-oxazol-5-yl)triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(2-methylcyclohexyl)oxyethyl]-2-[4-(3-methyl-1,2-oxazol-5-yl)triazol-1-yl]acetamide
PubChem CID167759058
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC NameN-[2-(2-methylcyclohexyl)oxyethyl]-2-[4-(3-methyl-1,2-oxazol-5-yl)triazol-1-yl]acetamide
SMILESCc1cc(-c2cn(CC(=O)NCCOC3CCCCC3C)nn2)on1
InChIInChI=1S/C17H25N5O3/c1-12-5-3-4-6-15(12)24-8-7-18-17(23)11-22-10-14(19-21-22)16-9-13(2)20-25-16/h9-10,12,15H,3-8,11H2,1-2H3,(H,18,23)
InChIKeyYRJNYMSOVJGEEA-UHFFFAOYSA-N
XLogP1.95
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylcyclohexyl)oxyethyl]-2-[4-(3-methyl-1,2-oxazol-5-yl)triazol-1-yl]acetamide?
The IUPAC name of N-[2-(2-methylcyclohexyl)oxyethyl]-2-[4-(3-methyl-1,2-oxazol-5-yl)triazol-1-yl]acetamide (CID 167759058) is N-[2-(2-methylcyclohexyl)oxyethyl]-2-[4-(3-methyl-1,2-oxazol-5-yl)triazol-1-yl]acetamide.
What is the SMILES notation for N-[2-(2-methylcyclohexyl)oxyethyl]-2-[4-(3-methyl-1,2-oxazol-5-yl)triazol-1-yl]acetamide?
The canonical SMILES for N-[2-(2-methylcyclohexyl)oxyethyl]-2-[4-(3-methyl-1,2-oxazol-5-yl)triazol-1-yl]acetamide is Cc1cc(-c2cn(CC(=O)NCCOC3CCCCC3C)nn2)on1.
What is the InChIKey of N-[2-(2-methylcyclohexyl)oxyethyl]-2-[4-(3-methyl-1,2-oxazol-5-yl)triazol-1-yl]acetamide?
The InChIKey is YRJNYMSOVJGEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-12-5-3-4-6-15(12)24-8-7-18-17(23)11-22-10-14(19-21-22)16-9-13(2)20-25-16/h9-10,12,15H,3-8,11H2,1-2H3,(H,18,23).
What are the key properties of N-[2-(2-methylcyclohexyl)oxyethyl]-2-[4-(3-methyl-1,2-oxazol-5-yl)triazol-1-yl]acetamide?
N-[2-(2-methylcyclohexyl)oxyethyl]-2-[4-(3-methyl-1,2-oxazol-5-yl)triazol-1-yl]acetamide has a molecular weight of 347.42 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylcyclohexyl)oxyethyl]-2-[4-(3-methyl-1,2-oxazol-5-yl)triazol-1-yl]acetamide is sourced from PubChem (CID 167759058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).