1-(3-phenylmethoxyazetidin-1-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one

C21H21N3O3 — CID 70707923

IUPAC1-(3-phenylmethoxyazetidin-1-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one
SMILESO=C(CCc1nc(-c2ccccc2)no1)N1CC(OCc2ccccc2)C1
InChIInChI=1S/C21H21N3O3/c25-20(24-13-18(14-24)26-15-16-7-3-1-4-8-16)12-11-19-22-21(23-27-19)17-9-5-2-6-10-17/h1-10,18H,11-15H2
InChIKeyGDYRKSKLZUGLSI-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.10
Rot. Bonds7

About 1-(3-phenylmethoxyazetidin-1-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one

1-(3-phenylmethoxyazetidin-1-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one (PubChem CID 70707923) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 1-(3-phenylmethoxyazetidin-1-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one.

Molecular Properties

Compound Name1-(3-phenylmethoxyazetidin-1-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one
PubChem CID70707923
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name1-(3-phenylmethoxyazetidin-1-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one
SMILESO=C(CCc1nc(-c2ccccc2)no1)N1CC(OCc2ccccc2)C1
InChIInChI=1S/C21H21N3O3/c25-20(24-13-18(14-24)26-15-16-7-3-1-4-8-16)12-11-19-22-21(23-27-19)17-9-5-2-6-10-17/h1-10,18H,11-15H2
InChIKeyGDYRKSKLZUGLSI-UHFFFAOYSA-N
XLogP3.10
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(3-phenylmethoxyazetidin-1-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-phenylmethoxypiperidin-1-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 55623292
1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 163338624
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-(3-propoxypiperidin-1-yl)propan-1-one
CID 70763009
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 9225619
1-morpholin-4-yl-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 100762654
1-(4-benzyl-1,4-diazepan-1-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 43044241
3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 100762680
1-(4-benzhydrylpiperazin-1-yl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 100762673
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 27661448
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(3,5-dimethylpiperidin-1-yl)propan-1-one
CID 51218802
9-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyl]-2,3,4,6,7,8,10,10a-octahydropyrazino[1,2-a][1,4]diazepin-1-one
CID 146074103
1-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 70723994

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylmethoxyazetidin-1-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one?
The IUPAC name of 1-(3-phenylmethoxyazetidin-1-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one (CID 70707923) is 1-(3-phenylmethoxyazetidin-1-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one.
What is the SMILES notation for 1-(3-phenylmethoxyazetidin-1-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one?
The canonical SMILES for 1-(3-phenylmethoxyazetidin-1-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one is O=C(CCc1nc(-c2ccccc2)no1)N1CC(OCc2ccccc2)C1.
What is the InChIKey of 1-(3-phenylmethoxyazetidin-1-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one?
The InChIKey is GDYRKSKLZUGLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c25-20(24-13-18(14-24)26-15-16-7-3-1-4-8-16)12-11-19-22-21(23-27-19)17-9-5-2-6-10-17/h1-10,18H,11-15H2.
What are the key properties of 1-(3-phenylmethoxyazetidin-1-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one?
1-(3-phenylmethoxyazetidin-1-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one has a molecular weight of 363.42 g/mol, XLogP of 3.10, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylmethoxyazetidin-1-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one is sourced from PubChem (CID 70707923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).