3-(4-ethylphenyl)-1-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one

C18H23N3O3 — CID 97344976

IUPAC3-(4-ethylphenyl)-1-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one
SMILESCCc1ccc(CCC(=O)N2CCO[C@H](c3noc(C)n3)C2)cc1
InChIInChI=1S/C18H23N3O3/c1-3-14-4-6-15(7-5-14)8-9-17(22)21-10-11-23-16(12-21)18-19-13(2)24-20-18/h4-7,16H,3,8-12H2,1-2H3/t16-/m0/s1
InChIKeyZEHWBIAOLYLEHY-INIZCTEOSA-N
MW329.40 g/mol
LogP2.47
Rot. Bonds5

About 3-(4-ethylphenyl)-1-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one

3-(4-ethylphenyl)-1-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one (PubChem CID 97344976) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-1-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-ethylphenyl)-1-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one
PubChem CID97344976
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name3-(4-ethylphenyl)-1-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one
SMILESCCc1ccc(CCC(=O)N2CCO[C@H](c3noc(C)n3)C2)cc1
InChIInChI=1S/C18H23N3O3/c1-3-14-4-6-15(7-5-14)8-9-17(22)21-10-11-23-16(12-21)18-19-13(2)24-20-18/h4-7,16H,3,8-12H2,1-2H3/t16-/m0/s1
InChIKeyZEHWBIAOLYLEHY-INIZCTEOSA-N
XLogP2.47
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(4-ethylphenyl)-1-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-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

3-(4-methylphenyl)-1-[(2R)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one
CID 97345089
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
(4-tert-butylphenyl)-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
CID 97344999
4-[3-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-3-oxopropyl]benzonitrile
CID 95734419
3-(4-ethylphenyl)-1-(3-methylpyrrolidin-1-yl)propan-1-one
CID 110749751
1-[2-(4-ethylphenyl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one
CID 110364040
1-[(2S)-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]butan-1-one
CID 97345130
4-[2-(4-methoxyphenyl)ethyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine
CID 75480253
3-(3-chloro-4-methylphenyl)-1-[2-[5-(hydroxymethyl)-1H-1,2,4-triazol-3-yl]morpholin-4-yl]propan-1-one
CID 167968222
4-[3-(2-ethylmorpholin-4-yl)-3-oxopropyl]benzoic acid
CID 119182801
[2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]-quinoxalin-2-ylmethanone
CID 127781397
methyl 4-[3-(2-ethylmorpholin-4-yl)-3-oxopropyl]benzoate
CID 56785300

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-1-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one?
The IUPAC name of 3-(4-ethylphenyl)-1-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one (CID 97344976) is 3-(4-ethylphenyl)-1-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-(4-ethylphenyl)-1-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one?
The canonical SMILES for 3-(4-ethylphenyl)-1-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one is CCc1ccc(CCC(=O)N2CCO[C@H](c3noc(C)n3)C2)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-1-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one?
The InChIKey is ZEHWBIAOLYLEHY-INIZCTEOSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-3-14-4-6-15(7-5-14)8-9-17(22)21-10-11-23-16(12-21)18-19-13(2)24-20-18/h4-7,16H,3,8-12H2,1-2H3/t16-/m0/s1.
What are the key properties of 3-(4-ethylphenyl)-1-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one?
3-(4-ethylphenyl)-1-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one has a molecular weight of 329.40 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-1-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one is sourced from PubChem (CID 97344976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).