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

C25H21N3O4 — CID 91905547

IUPAC(2-methoxyphenyl)-[3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CC(Oc2cccc(-c3nc(-c4ccccc4)no3)c2)C1
InChIInChI=1S/C25H21N3O4/c1-30-22-13-6-5-12-21(22)25(29)28-15-20(16-28)31-19-11-7-10-18(14-19)24-26-23(27-32-24)17-8-3-2-4-9-17/h2-14,20H,15-16H2,1H3
InChIKeyYZRSHMBIGHMLFU-UHFFFAOYSA-N
MW427.46 g/mol
LogP4.32
Rot. Bonds6

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

(2-methoxyphenyl)-[3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone (PubChem CID 91905547) has the molecular formula C25H21N3O4 and a molecular weight of 427.46 g/mol. Its IUPAC name is (2-methoxyphenyl)-[3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-[3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone
PubChem CID91905547
Molecular FormulaC25H21N3O4
Molecular Weight427.46 g/mol
Exact Mass427.15
IUPAC Name(2-methoxyphenyl)-[3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CC(Oc2cccc(-c3nc(-c4ccccc4)no3)c2)C1
InChIInChI=1S/C25H21N3O4/c1-30-22-13-6-5-12-21(22)25(29)28-15-20(16-28)31-19-11-7-10-18(14-19)24-26-23(27-32-24)17-8-3-2-4-9-17/h2-14,20H,15-16H2,1H3
InChIKeyYZRSHMBIGHMLFU-UHFFFAOYSA-N
XLogP4.32
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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3-[(3-Methoxyphenyl)methyl]-5-(2-piperidin-4-yloxyphenyl)-1,2,4-oxadiazole
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CID 89615803
5-(4-Fluoro-2-piperidin-4-yloxyphenyl)-3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazole
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CID 1957527
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CID 1983138
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5-[4-({1-[(3-Fluorophenyl)acetyl]azetidin-3-yl}oxy)phenyl]-3-phenyl-1,2,4-oxadiazole
CID 91905486
(3-Fluorophenyl)-[3-[4-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]phenoxy]azetidin-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-[3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone?
The IUPAC name of (2-methoxyphenyl)-[3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone (CID 91905547) is (2-methoxyphenyl)-[3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone.
What is the SMILES notation for (2-methoxyphenyl)-[3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone?
The canonical SMILES for (2-methoxyphenyl)-[3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone is COc1ccccc1C(=O)N1CC(Oc2cccc(-c3nc(-c4ccccc4)no3)c2)C1.
What is the InChIKey of (2-methoxyphenyl)-[3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone?
The InChIKey is YZRSHMBIGHMLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O4/c1-30-22-13-6-5-12-21(22)25(29)28-15-20(16-28)31-19-11-7-10-18(14-19)24-26-23(27-32-24)17-8-3-2-4-9-17/h2-14,20H,15-16H2,1H3.
What are the key properties of (2-methoxyphenyl)-[3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone?
(2-methoxyphenyl)-[3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone has a molecular weight of 427.46 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-[3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone is sourced from PubChem (CID 91905547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).