2-[3-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-morpholin-4-ylethanone

C21H21N3O4 — CID 50754150

IUPAC2-[3-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-morpholin-4-ylethanone
SMILESCc1ccc(-c2nc(-c3cccc(OCC(=O)N4CCOCC4)c3)no2)cc1
InChIInChI=1S/C21H21N3O4/c1-15-5-7-16(8-6-15)21-22-20(23-28-21)17-3-2-4-18(13-17)27-14-19(25)24-9-11-26-12-10-24/h2-8,13H,9-12,14H2,1H3
InChIKeyOBIUHLZQTOMYCY-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.95
Rot. Bonds5

About 2-[3-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-morpholin-4-ylethanone

2-[3-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-morpholin-4-ylethanone (PubChem CID 50754150) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is 2-[3-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[3-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-morpholin-4-ylethanone
PubChem CID50754150
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Name2-[3-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-morpholin-4-ylethanone
SMILESCc1ccc(-c2nc(-c3cccc(OCC(=O)N4CCOCC4)c3)no2)cc1
InChIInChI=1S/C21H21N3O4/c1-15-5-7-16(8-6-15)21-22-20(23-28-21)17-3-2-4-18(13-17)27-14-19(25)24-9-11-26-12-10-24/h2-8,13H,9-12,14H2,1H3
InChIKeyOBIUHLZQTOMYCY-UHFFFAOYSA-N
XLogP2.95
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[3-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-morpholin-4-ylethanone 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-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-morpholin-4-ylethanone
CID 45032454
1-morpholin-4-yl-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]ethanone
CID 46266743
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]ethanone
CID 46266562
2-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-1-morpholin-4-ylethanone
CID 50746017
2-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-1-(4-methylpiperazin-1-yl)ethanone
CID 46266568
2-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-morpholin-4-ylethanone
CID 45032720
2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-1-(4-phenylpiperazin-1-yl)ethanone
CID 46266638
2-(4-methylphenoxy)-1-morpholin-4-ylethanone
CID 674914
2-[3-(1-methylpyrazol-4-yl)phenoxy]-1-morpholin-4-ylethanone
CID 91027875
2-(3-acetylphenoxy)-1-morpholin-4-ylethanone
CID 685737
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]ethanone
CID 25238267
5-(4-methylphenyl)-3-(3-prop-2-enoxyphenyl)-1,2,4-oxadiazole
CID 46043984

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[3-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-morpholin-4-ylethanone (CID 50754150) is 2-[3-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[3-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[3-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-morpholin-4-ylethanone is Cc1ccc(-c2nc(-c3cccc(OCC(=O)N4CCOCC4)c3)no2)cc1.
What is the InChIKey of 2-[3-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-morpholin-4-ylethanone?
The InChIKey is OBIUHLZQTOMYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-15-5-7-16(8-6-15)21-22-20(23-28-21)17-3-2-4-18(13-17)27-14-19(25)24-9-11-26-12-10-24/h2-8,13H,9-12,14H2,1H3.
What are the key properties of 2-[3-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-morpholin-4-ylethanone?
2-[3-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-morpholin-4-ylethanone has a molecular weight of 379.42 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-morpholin-4-ylethanone is sourced from PubChem (CID 50754150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).