N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-phenoxyacetamide

C11H12N4O3 — CID 83093509

IUPACN-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-phenoxyacetamide
SMILESCOc1n[nH]c(NC(=O)COc2ccccc2)n1
InChIInChI=1S/C11H12N4O3/c1-17-11-13-10(14-15-11)12-9(16)7-18-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,12,13,14,15,16)
InChIKeyQPGPYLYGAWHDQC-UHFFFAOYSA-N
MW248.24 g/mol
LogP0.83
Rot. Bonds5

About N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-phenoxyacetamide

N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-phenoxyacetamide (PubChem CID 83093509) has the molecular formula C11H12N4O3 and a molecular weight of 248.24 g/mol. Its IUPAC name is N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-phenoxyacetamide
PubChem CID83093509
Molecular FormulaC11H12N4O3
Molecular Weight248.24 g/mol
Exact Mass248.09
IUPAC NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-phenoxyacetamide
SMILESCOc1n[nH]c(NC(=O)COc2ccccc2)n1
InChIInChI=1S/C11H12N4O3/c1-17-11-13-10(14-15-11)12-9(16)7-18-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,12,13,14,15,16)
InChIKeyQPGPYLYGAWHDQC-UHFFFAOYSA-N
XLogP0.83
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-phenylacetamide
CID 83102734
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-(3-nitrophenoxy)acetamide
CID 83090279
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-phenylpropanamide
CID 83092837
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-pyridin-2-ylacetamide
CID 83101826
2-(4-methoxyphenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide
CID 83093707
2-(3-chlorophenoxy)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)acetamide
CID 104818243
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-propan-2-yloxyacetamide
CID 112603305
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112603304
N-(3-benzylsulfanyl-1H-1,2,4-triazol-5-yl)-2-phenoxyacetamide
CID 17420392
2-(3-bromophenoxy)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)acetamide
CID 104817589
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methyl-2-phenylpropanamide
CID 83092749
2-(1H-indol-3-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide
CID 83093520

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-phenoxyacetamide?
The IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-phenoxyacetamide (CID 83093509) is N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-phenoxyacetamide.
What is the SMILES notation for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-phenoxyacetamide?
The canonical SMILES for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-phenoxyacetamide is COc1n[nH]c(NC(=O)COc2ccccc2)n1.
What is the InChIKey of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-phenoxyacetamide?
The InChIKey is QPGPYLYGAWHDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3/c1-17-11-13-10(14-15-11)12-9(16)7-18-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,12,13,14,15,16).
What are the key properties of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-phenoxyacetamide?
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-phenoxyacetamide has a molecular weight of 248.24 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-phenoxyacetamide is sourced from PubChem (CID 83093509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).