2-(4-methylphenyl)-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone

C15H17N3O3 — CID 97252445

IUPAC2-(4-methylphenyl)-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone
SMILESCc1ccc(CC(=O)N2CCOC[C@@H]2c2ncon2)cc1
InChIInChI=1S/C15H17N3O3/c1-11-2-4-12(5-3-11)8-14(19)18-6-7-20-9-13(18)15-16-10-21-17-15/h2-5,10,13H,6-9H2,1H3/t13-/m1/s1
InChIKeyYQVLDZGJMKLFDK-CYBMUJFWSA-N
MW287.32 g/mol
LogP1.52
Rot. Bonds3

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

2-(4-methylphenyl)-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone (PubChem CID 97252445) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-(4-methylphenyl)-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(4-methylphenyl)-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone
PubChem CID97252445
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2-(4-methylphenyl)-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone
SMILESCc1ccc(CC(=O)N2CCOC[C@@H]2c2ncon2)cc1
InChIInChI=1S/C15H17N3O3/c1-11-2-4-12(5-3-11)8-14(19)18-6-7-20-9-13(18)15-16-10-21-17-15/h2-5,10,13H,6-9H2,1H3/t13-/m1/s1
InChIKeyYQVLDZGJMKLFDK-CYBMUJFWSA-N
XLogP1.52
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4-methylphenyl)-1-[(3S)-3-(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

2-(2,5-dimethylphenoxy)-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone
CID 97331565
3-(3,5-dimethylphenoxy)-1-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one
CID 75470555
1-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]-2-[3-(2,2,2-trifluoroethoxy)phenyl]ethanone
CID 136521396
2-(cyclopropylmethoxy)-1-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone
CID 127772425
2-(6-chloro-1H-indol-3-yl)-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone
CID 97331689
2-naphthalen-2-yloxy-1-[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone
CID 97331604
3-(2-chlorophenyl)sulfanyl-1-[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one
CID 97331620
1-[3-(methoxymethyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone
CID 112537756
(3-bromo-2-methylphenyl)-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
CID 75470568
3-indol-1-yl-1-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one
CID 75470511
(6-methoxy-3-pyridinyl)-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
CID 127772368
1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-2-(4-fluorophenyl)ethanone
CID 75470386

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone?
The IUPAC name of 2-(4-methylphenyl)-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone (CID 97252445) is 2-(4-methylphenyl)-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(4-methylphenyl)-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-(4-methylphenyl)-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone is Cc1ccc(CC(=O)N2CCOC[C@@H]2c2ncon2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone?
The InChIKey is YQVLDZGJMKLFDK-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-11-2-4-12(5-3-11)8-14(19)18-6-7-20-9-13(18)15-16-10-21-17-15/h2-5,10,13H,6-9H2,1H3/t13-/m1/s1.
What are the key properties of 2-(4-methylphenyl)-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone?
2-(4-methylphenyl)-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone has a molecular weight of 287.32 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone is sourced from PubChem (CID 97252445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).