2-(2-methoxyphenoxy)-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone

C14H16N4O3 — CID 91625215

IUPAC2-(2-methoxyphenoxy)-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone
SMILESCOc1ccccc1OCC(=O)N1CC(n2ccnn2)C1
InChIInChI=1S/C14H16N4O3/c1-20-12-4-2-3-5-13(12)21-10-14(19)17-8-11(9-17)18-7-6-15-16-18/h2-7,11H,8-10H2,1H3
InChIKeyZCKGKKQMBGHJAX-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.75
Rot. Bonds5

About 2-(2-methoxyphenoxy)-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone

2-(2-methoxyphenoxy)-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone (PubChem CID 91625215) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone
PubChem CID91625215
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name2-(2-methoxyphenoxy)-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone
SMILESCOc1ccccc1OCC(=O)N1CC(n2ccnn2)C1
InChIInChI=1S/C14H16N4O3/c1-20-12-4-2-3-5-13(12)21-10-14(19)17-8-11(9-17)18-7-6-15-16-18/h2-7,11H,8-10H2,1H3
InChIKeyZCKGKKQMBGHJAX-UHFFFAOYSA-N
XLogP0.75
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone?
The IUPAC name of 2-(2-methoxyphenoxy)-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone (CID 91625215) is 2-(2-methoxyphenoxy)-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-methoxyphenoxy)-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone?
The canonical SMILES for 2-(2-methoxyphenoxy)-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone is COc1ccccc1OCC(=O)N1CC(n2ccnn2)C1.
What is the InChIKey of 2-(2-methoxyphenoxy)-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone?
The InChIKey is ZCKGKKQMBGHJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-20-12-4-2-3-5-13(12)21-10-14(19)17-8-11(9-17)18-7-6-15-16-18/h2-7,11H,8-10H2,1H3.
What are the key properties of 2-(2-methoxyphenoxy)-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone?
2-(2-methoxyphenoxy)-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone has a molecular weight of 288.31 g/mol, XLogP of 0.75, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone is sourced from PubChem (CID 91625215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).