2-(3-methoxyphenyl)-1-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]ethanone

C26H23N3O4 — CID 91905478

IUPAC2-(3-methoxyphenyl)-1-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]ethanone
SMILESCOc1cccc(CC(=O)N2CC(Oc3ccc(-c4nc(-c5ccccc5)no4)cc3)C2)c1
InChIInChI=1S/C26H23N3O4/c1-31-22-9-5-6-18(14-22)15-24(30)29-16-23(17-29)32-21-12-10-20(11-13-21)26-27-25(28-33-26)19-7-3-2-4-8-19/h2-14,23H,15-17H2,1H3
InChIKeyARMSCNMMPCKWNT-UHFFFAOYSA-N
MW441.49 g/mol
LogP4.24
Rot. Bonds7

About 2-(3-methoxyphenyl)-1-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]ethanone

2-(3-methoxyphenyl)-1-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]ethanone (PubChem CID 91905478) has the molecular formula C26H23N3O4 and a molecular weight of 441.49 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-1-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-1-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]ethanone
PubChem CID91905478
Molecular FormulaC26H23N3O4
Molecular Weight441.49 g/mol
Exact Mass441.17
IUPAC Name2-(3-methoxyphenyl)-1-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]ethanone
SMILESCOc1cccc(CC(=O)N2CC(Oc3ccc(-c4nc(-c5ccccc5)no4)cc3)C2)c1
InChIInChI=1S/C26H23N3O4/c1-31-22-9-5-6-18(14-22)15-24(30)29-16-23(17-29)32-21-12-10-20(11-13-21)26-27-25(28-33-26)19-7-3-2-4-8-19/h2-14,23H,15-17H2,1H3
InChIKeyARMSCNMMPCKWNT-UHFFFAOYSA-N
XLogP4.24
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-methoxyphenyl)-1-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone
CID 53121815
2-(3-methoxyphenyl)-1-[(3R)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 1454443
2-(3-methoxyphenyl)-1-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]ethanone
CID 53041871
1-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 121093062
2-(3-methoxyphenyl)-1-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone
CID 121096693
[3-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 91915163
(4-fluorophenyl)-[3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone
CID 91905542
2-(3-methoxyphenyl)-1-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]ethanone
CID 90627458
N-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-phenylacetamide
CID 50747785
2-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-phenylethanone
CID 83284781
1-(2-benzyl-6-methylmorpholin-4-yl)-2-(3-methoxyphenyl)ethanone
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3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzoic acid
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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-1-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]ethanone?
The IUPAC name of 2-(3-methoxyphenyl)-1-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]ethanone (CID 91905478) is 2-(3-methoxyphenyl)-1-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-methoxyphenyl)-1-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]ethanone?
The canonical SMILES for 2-(3-methoxyphenyl)-1-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]ethanone is COc1cccc(CC(=O)N2CC(Oc3ccc(-c4nc(-c5ccccc5)no4)cc3)C2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-1-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]ethanone?
The InChIKey is ARMSCNMMPCKWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O4/c1-31-22-9-5-6-18(14-22)15-24(30)29-16-23(17-29)32-21-12-10-20(11-13-21)26-27-25(28-33-26)19-7-3-2-4-8-19/h2-14,23H,15-17H2,1H3.
What are the key properties of 2-(3-methoxyphenyl)-1-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]ethanone?
2-(3-methoxyphenyl)-1-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]ethanone has a molecular weight of 441.49 g/mol, XLogP of 4.24, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-1-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]ethanone is sourced from PubChem (CID 91905478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).