2-(2-methylphenoxy)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)acetamide

C17H16N4O2 — CID 17408222

IUPAC2-(2-methylphenoxy)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)acetamide
SMILESCc1ccccc1OCC(=O)Nc1n[nH]c(-c2ccccc2)n1
InChIInChI=1S/C17H16N4O2/c1-12-7-5-6-10-14(12)23-11-15(22)18-17-19-16(20-21-17)13-8-3-2-4-9-13/h2-10H,11H2,1H3,(H2,18,19,20,21,22)
InChIKeyLIWQLVVQJLOYQG-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.80
Rot. Bonds5

About 2-(2-methylphenoxy)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)acetamide

2-(2-methylphenoxy)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)acetamide (PubChem CID 17408222) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)acetamide
PubChem CID17408222
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name2-(2-methylphenoxy)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)acetamide
SMILESCc1ccccc1OCC(=O)Nc1n[nH]c(-c2ccccc2)n1
InChIInChI=1S/C17H16N4O2/c1-12-7-5-6-10-14(12)23-11-15(22)18-17-19-16(20-21-17)13-8-3-2-4-9-13/h2-10H,11H2,1H3,(H2,18,19,20,21,22)
InChIKeyLIWQLVVQJLOYQG-UHFFFAOYSA-N
XLogP2.80
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)acetamide?
The IUPAC name of 2-(2-methylphenoxy)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)acetamide (CID 17408222) is 2-(2-methylphenoxy)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)acetamide.
What is the SMILES notation for 2-(2-methylphenoxy)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)acetamide?
The canonical SMILES for 2-(2-methylphenoxy)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)acetamide is Cc1ccccc1OCC(=O)Nc1n[nH]c(-c2ccccc2)n1.
What is the InChIKey of 2-(2-methylphenoxy)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)acetamide?
The InChIKey is LIWQLVVQJLOYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-12-7-5-6-10-14(12)23-11-15(22)18-17-19-16(20-21-17)13-8-3-2-4-9-13/h2-10H,11H2,1H3,(H2,18,19,20,21,22).
What are the key properties of 2-(2-methylphenoxy)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)acetamide?
2-(2-methylphenoxy)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)acetamide has a molecular weight of 308.34 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)acetamide is sourced from PubChem (CID 17408222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).