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

C18H18N4O3 — CID 70750140

IUPAC2-(benzotriazol-2-yl)-1-[3-(3-methoxyphenoxy)azetidin-1-yl]ethanone
SMILESCOc1cccc(OC2CN(C(=O)Cn3nc4ccccc4n3)C2)c1
InChIInChI=1S/C18H18N4O3/c1-24-13-5-4-6-14(9-13)25-15-10-21(11-15)18(23)12-22-19-16-7-2-3-8-17(16)20-22/h2-9,15H,10-12H2,1H3
InChIKeyKHFABYLYXUNRLK-UHFFFAOYSA-N
MW338.37 g/mol
LogP1.73
Rot. Bonds5

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

2-(benzotriazol-2-yl)-1-[3-(3-methoxyphenoxy)azetidin-1-yl]ethanone (PubChem CID 70750140) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-1-[3-(3-methoxyphenoxy)azetidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-1-[3-(3-methoxyphenoxy)azetidin-1-yl]ethanone
PubChem CID70750140
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name2-(benzotriazol-2-yl)-1-[3-(3-methoxyphenoxy)azetidin-1-yl]ethanone
SMILESCOc1cccc(OC2CN(C(=O)Cn3nc4ccccc4n3)C2)c1
InChIInChI=1S/C18H18N4O3/c1-24-13-5-4-6-14(9-13)25-15-10-21(11-15)18(23)12-22-19-16-7-2-3-8-17(16)20-22/h2-9,15H,10-12H2,1H3
InChIKeyKHFABYLYXUNRLK-UHFFFAOYSA-N
XLogP1.73
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(benzotriazol-2-yl)-1-[3-(3-methoxyphenoxy)azetidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(3-methoxyphenoxy)azetidin-1-yl]-4-phenoxybutan-1-one
CID 70781209
[3-(3-methoxyphenoxy)azetidin-1-yl]-(2-phenylphenyl)methanone
CID 70775085
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-[3-(3-methoxyphenoxy)azetidin-1-yl]propan-1-one
CID 91832930
[3-(3-methoxyphenoxy)azetidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone
CID 131920038
[3-(3-methoxyphenoxy)azetidin-1-yl]-(2-propoxyphenyl)methanone
CID 70729315
[3-(3-methoxyphenoxy)azetidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 70744426
N-(2-ethoxyphenyl)-3-(3-methoxyphenoxy)azetidine-1-carboxamide
CID 131927828
2,5-dihydro-1H-pyrrol-2-yl-[3-(3-methoxyphenoxy)azetidin-1-yl]methanone
CID 131890137
2-[3-[3-(3-methoxyphenoxy)azetidine-1-carbonyl]piperidin-1-yl]acetamide
CID 70729938
[3-(3-methoxyphenoxy)azetidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
CID 72893956
2-(3-methoxyphenyl)-1-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]ethanone
CID 91905478
1-cyclopropyl-4-[1-[2-(3-methoxyphenoxy)acetyl]azetidin-3-yl]oxy-6-methylpyridin-2-one
CID 91814878

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-2-yl)-1-[3-(3-methoxyphenoxy)azetidin-1-yl]ethanone?
The IUPAC name of 2-(benzotriazol-2-yl)-1-[3-(3-methoxyphenoxy)azetidin-1-yl]ethanone (CID 70750140) is 2-(benzotriazol-2-yl)-1-[3-(3-methoxyphenoxy)azetidin-1-yl]ethanone.
What is the SMILES notation for 2-(benzotriazol-2-yl)-1-[3-(3-methoxyphenoxy)azetidin-1-yl]ethanone?
The canonical SMILES for 2-(benzotriazol-2-yl)-1-[3-(3-methoxyphenoxy)azetidin-1-yl]ethanone is COc1cccc(OC2CN(C(=O)Cn3nc4ccccc4n3)C2)c1.
What is the InChIKey of 2-(benzotriazol-2-yl)-1-[3-(3-methoxyphenoxy)azetidin-1-yl]ethanone?
The InChIKey is KHFABYLYXUNRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-24-13-5-4-6-14(9-13)25-15-10-21(11-15)18(23)12-22-19-16-7-2-3-8-17(16)20-22/h2-9,15H,10-12H2,1H3.
What are the key properties of 2-(benzotriazol-2-yl)-1-[3-(3-methoxyphenoxy)azetidin-1-yl]ethanone?
2-(benzotriazol-2-yl)-1-[3-(3-methoxyphenoxy)azetidin-1-yl]ethanone has a molecular weight of 338.37 g/mol, XLogP of 1.73, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-2-yl)-1-[3-(3-methoxyphenoxy)azetidin-1-yl]ethanone is sourced from PubChem (CID 70750140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).