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

C20H19N3O4 — CID 91905450

IUPAC(2-methoxyphenyl)-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CC(Oc2ccc(-c3nc(C)no3)cc2)C1
InChIInChI=1S/C20H19N3O4/c1-13-21-19(27-22-13)14-7-9-15(10-8-14)26-16-11-23(12-16)20(24)17-5-3-4-6-18(17)25-2/h3-10,16H,11-12H2,1-2H3
InChIKeyJKLDTYKVYRQYPF-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.96
Rot. Bonds5

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

(2-methoxyphenyl)-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone (PubChem CID 91905450) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is (2-methoxyphenyl)-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone
PubChem CID91905450
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name(2-methoxyphenyl)-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CC(Oc2ccc(-c3nc(C)no3)cc2)C1
InChIInChI=1S/C20H19N3O4/c1-13-21-19(27-22-13)14-7-9-15(10-8-14)26-16-11-23(12-16)20(24)17-5-3-4-6-18(17)25-2/h3-10,16H,11-12H2,1-2H3
InChIKeyJKLDTYKVYRQYPF-UHFFFAOYSA-N
XLogP2.96
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-diethyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidine-1-carboxamide
CID 91915171
3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-propan-2-ylazetidine-1-carboxamide
CID 91915170
(2,5-difluorophenyl)-[3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone
CID 91905523
2-methoxy-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 110643559
(3-ethoxyazetidin-1-yl)-(2-methoxyphenyl)methanone
CID 123539708
(2-methoxyphenyl)-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 3226059
2-(3-methoxyphenyl)-1-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]ethanone
CID 91905478
5-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-yl]oxyphenyl]-3-methyl-1,2,4-oxadiazole
CID 91905431
3-methyl-5-[4-[1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]oxyphenyl]-1,2,4-oxadiazole
CID 91905427
(2-methoxyphenyl)-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone
CID 110328432
(3-phenoxyazetidin-1-yl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone
CID 141329300
(2-methoxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 110662304

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone?
The IUPAC name of (2-methoxyphenyl)-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone (CID 91905450) is (2-methoxyphenyl)-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone.
What is the SMILES notation for (2-methoxyphenyl)-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone?
The canonical SMILES for (2-methoxyphenyl)-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone is COc1ccccc1C(=O)N1CC(Oc2ccc(-c3nc(C)no3)cc2)C1.
What is the InChIKey of (2-methoxyphenyl)-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone?
The InChIKey is JKLDTYKVYRQYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-13-21-19(27-22-13)14-7-9-15(10-8-14)26-16-11-23(12-16)20(24)17-5-3-4-6-18(17)25-2/h3-10,16H,11-12H2,1-2H3.
What are the key properties of (2-methoxyphenyl)-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone?
(2-methoxyphenyl)-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone has a molecular weight of 365.39 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone is sourced from PubChem (CID 91905450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).