[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(4-ethoxyphenyl)methanone

C17H17ClN2O3 — CID 122248298

IUPAC[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)N2CC(Oc3ccc(Cl)cn3)C2)cc1
InChIInChI=1S/C17H17ClN2O3/c1-2-22-14-6-3-12(4-7-14)17(21)20-10-15(11-20)23-16-8-5-13(18)9-19-16/h3-9,15H,2,10-11H2,1H3
InChIKeyFUWRQMIYOZZKGS-UHFFFAOYSA-N
MW332.79 g/mol
LogP3.04
Rot. Bonds5

About [3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(4-ethoxyphenyl)methanone

[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(4-ethoxyphenyl)methanone (PubChem CID 122248298) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is [3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(4-ethoxyphenyl)methanone.

Molecular Properties

Compound Name[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(4-ethoxyphenyl)methanone
PubChem CID122248298
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC Name[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)N2CC(Oc3ccc(Cl)cn3)C2)cc1
InChIInChI=1S/C17H17ClN2O3/c1-2-22-14-6-3-12(4-7-14)17(21)20-10-15(11-20)23-16-8-5-13(18)9-19-16/h3-9,15H,2,10-11H2,1H3
InChIKeyFUWRQMIYOZZKGS-UHFFFAOYSA-N
XLogP3.04
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenoxy)-1-[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]ethanone
CID 122248347
1-[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 122248358
5-[3-[(5-chloro-2-pyridinyl)oxy]azetidine-1-carbonyl]pyran-2-one
CID 122248419
[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone
CID 122248430
2-[1-(4-ethoxybenzoyl)azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252291
[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(2-methylphenyl)methanone
CID 122248288
4-chloro-1-[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]butan-1-one
CID 122248284
(4-ethoxyphenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636090
3-[(5-chloro-2-pyridinyl)oxy]-N-[(4-methoxyphenyl)methyl]azetidine-1-carboxamide
CID 122248507
[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone
CID 122248470
(4-ethoxyphenyl)-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone
CID 90637338
2-(2-chlorophenyl)-1-[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]ethanone
CID 122248418

Frequently Asked Questions

What is the IUPAC name of [3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(4-ethoxyphenyl)methanone?
The IUPAC name of [3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(4-ethoxyphenyl)methanone (CID 122248298) is [3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(4-ethoxyphenyl)methanone.
What is the SMILES notation for [3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(4-ethoxyphenyl)methanone?
The canonical SMILES for [3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(4-ethoxyphenyl)methanone is CCOc1ccc(C(=O)N2CC(Oc3ccc(Cl)cn3)C2)cc1.
What is the InChIKey of [3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(4-ethoxyphenyl)methanone?
The InChIKey is FUWRQMIYOZZKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c1-2-22-14-6-3-12(4-7-14)17(21)20-10-15(11-20)23-16-8-5-13(18)9-19-16/h3-9,15H,2,10-11H2,1H3.
What are the key properties of [3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(4-ethoxyphenyl)methanone?
[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(4-ethoxyphenyl)methanone has a molecular weight of 332.79 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(4-ethoxyphenyl)methanone is sourced from PubChem (CID 122248298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).