1-[2-(2-fluorophenyl)morpholin-4-yl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone

C21H20FN3O4 — CID 110609378

IUPAC1-[2-(2-fluorophenyl)morpholin-4-yl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone
SMILESCOc1ccc(-c2noc(CC(=O)N3CCOC(c4ccccc4F)C3)n2)cc1
InChIInChI=1S/C21H20FN3O4/c1-27-15-8-6-14(7-9-15)21-23-19(29-24-21)12-20(26)25-10-11-28-18(13-25)16-4-2-3-5-17(16)22/h2-9,18H,10-13H2,1H3
InChIKeyISIOOKYYFKYHBU-UHFFFAOYSA-N
MW397.41 g/mol
LogP3.03
Rot. Bonds5

About 1-[2-(2-fluorophenyl)morpholin-4-yl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone

1-[2-(2-fluorophenyl)morpholin-4-yl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone (PubChem CID 110609378) has the molecular formula C21H20FN3O4 and a molecular weight of 397.41 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)morpholin-4-yl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)morpholin-4-yl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone
PubChem CID110609378
Molecular FormulaC21H20FN3O4
Molecular Weight397.41 g/mol
Exact Mass397.14
IUPAC Name1-[2-(2-fluorophenyl)morpholin-4-yl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone
SMILESCOc1ccc(-c2noc(CC(=O)N3CCOC(c4ccccc4F)C3)n2)cc1
InChIInChI=1S/C21H20FN3O4/c1-27-15-8-6-14(7-9-15)21-23-19(29-24-21)12-20(26)25-10-11-28-18(13-25)16-4-2-3-5-17(16)22/h2-9,18H,10-13H2,1H3
InChIKeyISIOOKYYFKYHBU-UHFFFAOYSA-N
XLogP3.03
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.41
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[2-(2-fluorophenyl)morpholin-4-yl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone 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

2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 92687613
2-(2-fluorophenyl)-1-[2-(2-fluorophenyl)morpholin-4-yl]ethanone
CID 110663780
1-[2-(2-fluorophenyl)morpholin-4-yl]-2-(2-methylphenyl)ethanone
CID 110663777
3-(2-fluorophenyl)-1-[2-(2-fluorophenyl)morpholin-4-yl]propan-1-one
CID 110609345
2-(4-fluorophenoxy)-1-[2-(2-fluorophenyl)morpholin-4-yl]ethanone
CID 110663787
1-[3-(ethoxymethyl)piperidin-1-yl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone
CID 110610328
2-(4-fluorophenyl)-1-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]ethanone
CID 142778838
1-[2-(2-fluorophenyl)morpholin-4-yl]-5-phenylpentane-1,5-dione
CID 110416386
(2-fluorophenyl)-[2-(4-methoxyphenyl)morpholin-4-yl]methanone
CID 110327171
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(2-fluorophenyl)morpholin-4-yl]ethanone
CID 110609346
1-[3-(2-fluorophenyl)pyrrolidin-1-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 70722217
2-(4-fluorophenyl)-1-[2-(4-methoxyphenyl)morpholin-4-yl]ethanone
CID 110327189

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)morpholin-4-yl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone?
The IUPAC name of 1-[2-(2-fluorophenyl)morpholin-4-yl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone (CID 110609378) is 1-[2-(2-fluorophenyl)morpholin-4-yl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-(2-fluorophenyl)morpholin-4-yl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-(2-fluorophenyl)morpholin-4-yl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone is COc1ccc(-c2noc(CC(=O)N3CCOC(c4ccccc4F)C3)n2)cc1.
What is the InChIKey of 1-[2-(2-fluorophenyl)morpholin-4-yl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone?
The InChIKey is ISIOOKYYFKYHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O4/c1-27-15-8-6-14(7-9-15)21-23-19(29-24-21)12-20(26)25-10-11-28-18(13-25)16-4-2-3-5-17(16)22/h2-9,18H,10-13H2,1H3.
What are the key properties of 1-[2-(2-fluorophenyl)morpholin-4-yl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone?
1-[2-(2-fluorophenyl)morpholin-4-yl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone has a molecular weight of 397.41 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)morpholin-4-yl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone is sourced from PubChem (CID 110609378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).