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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Related Compounds

5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-amine
CID 605283
3-methyl-5-(2-phenylmethoxyphenyl)-4~{H}-1,2,4-triazole
CID 155818568
2-(2-methoxyphenoxy)-N-[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]acetamide
CID 9247113
2-(4-methoxyphenyl)-N-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide
CID 17427517
(R)-N-(3-phenyl-1H-1,2,4-triazol-5-yl)-2-(m-tolyloxy)propanamide
CID 25573285
(2R)-2-(2-fluorophenoxy)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)propanamide
CID 32178888
(2R)-2-(3-chlorophenoxy)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)propanamide
CID 32460336
2-methoxy-N-(5-phenyl-1H-1,2,4-triazol-3-yl)benzamide
CID 32460717
2-(4-chlorophenoxy)-2-methyl-N-(3-phenyl-1H-1,2,4-triazol-5-yl)propanamide
CID 32461058
(2R)-2-phenoxy-N-(5-phenyl-1H-1,2,4-triazol-3-yl)propanamide
CID 32461405
(E)-3-[4-(2-methylallyloxy)phenyl]-N-(5-phenyl-4H-1,2,4-triazol-3-yl)prop-2-enamide
CID 57392197
N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 646463

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).