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

C25H21N3O3 — CID 121096603

IUPAC[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(4-phenylphenyl)methanone
SMILESCOc1ccccc1-c1noc(C2CN(C(=O)c3ccc(-c4ccccc4)cc3)C2)n1
InChIInChI=1S/C25H21N3O3/c1-30-22-10-6-5-9-21(22)23-26-24(31-27-23)20-15-28(16-20)25(29)19-13-11-18(12-14-19)17-7-3-2-4-8-17/h2-14,20H,15-16H2,1H3
InChIKeyDYQIMUBANBDRFC-UHFFFAOYSA-N
MW411.46 g/mol
LogP4.65
Rot. Bonds5

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

[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(4-phenylphenyl)methanone (PubChem CID 121096603) has the molecular formula C25H21N3O3 and a molecular weight of 411.46 g/mol. Its IUPAC name is [3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(4-phenylphenyl)methanone.

Molecular Properties

Compound Name[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(4-phenylphenyl)methanone
PubChem CID121096603
Molecular FormulaC25H21N3O3
Molecular Weight411.46 g/mol
Exact Mass411.16
IUPAC Name[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(4-phenylphenyl)methanone
SMILESCOc1ccccc1-c1noc(C2CN(C(=O)c3ccc(-c4ccccc4)cc3)C2)n1
InChIInChI=1S/C25H21N3O3/c1-30-22-10-6-5-9-21(22)23-26-24(31-27-23)20-15-28(16-20)25(29)19-13-11-18(12-14-19)17-7-3-2-4-8-17/h2-14,20H,15-16H2,1H3
InChIKeyDYQIMUBANBDRFC-UHFFFAOYSA-N
XLogP4.65
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methoxyphenyl)-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
CID 121096558
[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-naphthalen-2-ylmethanone
CID 121096601
(3,4-dimethoxyphenyl)-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
CID 121096564
[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 121096569
cyclopropyl-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
CID 121096534
1-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-2-phenylethanone
CID 121096625
(2,4-dimethyl-1,3-thiazol-5-yl)-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
CID 121096669
[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 121096523
cyclohexyl-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
CID 121096536
1-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-3,3-diphenylpropan-1-one
CID 121096639
[(3R)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-phenylphenyl)methanone
CID 1456159
1-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 121096620

Frequently Asked Questions

What is the IUPAC name of [3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(4-phenylphenyl)methanone?
The IUPAC name of [3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(4-phenylphenyl)methanone (CID 121096603) is [3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(4-phenylphenyl)methanone.
What is the SMILES notation for [3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(4-phenylphenyl)methanone?
The canonical SMILES for [3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(4-phenylphenyl)methanone is COc1ccccc1-c1noc(C2CN(C(=O)c3ccc(-c4ccccc4)cc3)C2)n1.
What is the InChIKey of [3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(4-phenylphenyl)methanone?
The InChIKey is DYQIMUBANBDRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O3/c1-30-22-10-6-5-9-21(22)23-26-24(31-27-23)20-15-28(16-20)25(29)19-13-11-18(12-14-19)17-7-3-2-4-8-17/h2-14,20H,15-16H2,1H3.
What are the key properties of [3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(4-phenylphenyl)methanone?
[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(4-phenylphenyl)methanone has a molecular weight of 411.46 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(4-phenylphenyl)methanone is sourced from PubChem (CID 121096603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).