2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone

C20H22N4O3S — CID 127781327

IUPAC2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone
SMILESCc1ccc(-c2nc(C)sc2CC(=O)N2CCOC(c3noc(C)n3)C2)cc1
InChIInChI=1S/C20H22N4O3S/c1-12-4-6-15(7-5-12)19-17(28-14(3)22-19)10-18(25)24-8-9-26-16(11-24)20-21-13(2)27-23-20/h4-7,16H,8-11H2,1-3H3
InChIKeyGOQSUMWXRITRLW-UHFFFAOYSA-N
MW398.49 g/mol
LogP3.26
Rot. Bonds4

About 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone

2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone (PubChem CID 127781327) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone
PubChem CID127781327
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC Name2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone
SMILESCc1ccc(-c2nc(C)sc2CC(=O)N2CCOC(c3noc(C)n3)C2)cc1
InChIInChI=1S/C20H22N4O3S/c1-12-4-6-15(7-5-12)19-17(28-14(3)22-19)10-18(25)24-8-9-26-16(11-24)20-21-13(2)27-23-20/h4-7,16H,8-11H2,1-3H3
InChIKeyGOQSUMWXRITRLW-UHFFFAOYSA-N
XLogP3.26
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-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

1-(3-hydroxypiperidin-1-yl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]ethanone
CID 110881980
3-(4-ethylphenyl)-1-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one
CID 97344976
2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[2-(4-methylpyrimidin-2-yl)morpholin-4-yl]ethanone
CID 110115520
1-[3-(methylamino)piperidin-1-yl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]ethanone;dihydrochloride
CID 119488324
ethyl 4-[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]piperazine-1-carboxylate
CID 29435932
ethyl (3R)-1-[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]piperidine-3-carboxylate
CID 29436154
1-(4-methyl-1,4-diazepan-1-yl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]ethanone
CID 78769683
(4-tert-butylphenyl)-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
CID 97344999
3-(4-methylphenyl)-1-[(2R)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one
CID 97345089
1-(2,3-dihydroindol-1-yl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]ethanone
CID 2095629
[2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]-quinoxalin-2-ylmethanone
CID 127781397
(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 124890686

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone?
The IUPAC name of 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone (CID 127781327) is 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone is Cc1ccc(-c2nc(C)sc2CC(=O)N2CCOC(c3noc(C)n3)C2)cc1.
What is the InChIKey of 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone?
The InChIKey is GOQSUMWXRITRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-12-4-6-15(7-5-12)19-17(28-14(3)22-19)10-18(25)24-8-9-26-16(11-24)20-21-13(2)27-23-20/h4-7,16H,8-11H2,1-3H3.
What are the key properties of 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone?
2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone has a molecular weight of 398.49 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone is sourced from PubChem (CID 127781327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).