2-(3-methyl-1,2-oxazol-5-yl)-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethanone

C21H27N3O3 — CID 155506908

IUPAC2-(3-methyl-1,2-oxazol-5-yl)-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethanone
SMILESCc1cc(CC(=O)N2CCO[C@@H](CN3CCCC3)[C@@H]2c2ccccc2)on1
InChIInChI=1S/C21H27N3O3/c1-16-13-18(27-22-16)14-20(25)24-11-12-26-19(15-23-9-5-6-10-23)21(24)17-7-3-2-4-8-17/h2-4,7-8,13,19,21H,5-6,9-12,14-15H2,1H3/t19-,21-/m0/s1
InChIKeyJGLDMEPYPMFGFE-FPOVZHCZSA-N
MW369.47 g/mol
LogP2.59
Rot. Bonds5

About 2-(3-methyl-1,2-oxazol-5-yl)-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethanone

2-(3-methyl-1,2-oxazol-5-yl)-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethanone (PubChem CID 155506908) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-(3-methyl-1,2-oxazol-5-yl)-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(3-methyl-1,2-oxazol-5-yl)-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethanone
PubChem CID155506908
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name2-(3-methyl-1,2-oxazol-5-yl)-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethanone
SMILESCc1cc(CC(=O)N2CCO[C@@H](CN3CCCC3)[C@@H]2c2ccccc2)on1
InChIInChI=1S/C21H27N3O3/c1-16-13-18(27-22-16)14-20(25)24-11-12-26-19(15-23-9-5-6-10-23)21(24)17-7-3-2-4-8-17/h2-4,7-8,13,19,21H,5-6,9-12,14-15H2,1H3/t19-,21-/m0/s1
InChIKeyJGLDMEPYPMFGFE-FPOVZHCZSA-N
XLogP2.59
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(3-methyl-1,2-oxazol-5-yl)-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)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

4-methyl-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]pentan-1-one
CID 155504432
2-[4-(hydroxymethyl)phenyl]-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethanone
CID 155510119
1-[(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholin-4-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone
CID 155496867
(3-chloro-4-methylphenyl)-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone
CID 155499818
5-oxo-5-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]pentanamide
CID 155497327
4-amino-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]butan-1-one
CID 155505419
3-cyclobutyl-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]propan-1-one
CID 155507576
2-(cyclopropylamino)-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethanone;dihydrochloride
CID 155940011
[2-oxo-2-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethyl]urea
CID 155493453
1-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]-2-phenylethanone
CID 155495620
2-(3,5-dimethylpyrazol-1-yl)-1-[(2S,3S)-2-[(4-hydroxypiperidin-1-yl)methyl]-3-phenylmorpholin-4-yl]ethanone
CID 154821755
3-(2-ethylimidazol-1-yl)-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]propan-1-one
CID 155493847

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1,2-oxazol-5-yl)-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethanone?
The IUPAC name of 2-(3-methyl-1,2-oxazol-5-yl)-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethanone (CID 155506908) is 2-(3-methyl-1,2-oxazol-5-yl)-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(3-methyl-1,2-oxazol-5-yl)-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-(3-methyl-1,2-oxazol-5-yl)-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethanone is Cc1cc(CC(=O)N2CCO[C@@H](CN3CCCC3)[C@@H]2c2ccccc2)on1.
What is the InChIKey of 2-(3-methyl-1,2-oxazol-5-yl)-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethanone?
The InChIKey is JGLDMEPYPMFGFE-FPOVZHCZSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-16-13-18(27-22-16)14-20(25)24-11-12-26-19(15-23-9-5-6-10-23)21(24)17-7-3-2-4-8-17/h2-4,7-8,13,19,21H,5-6,9-12,14-15H2,1H3/t19-,21-/m0/s1.
What are the key properties of 2-(3-methyl-1,2-oxazol-5-yl)-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethanone?
2-(3-methyl-1,2-oxazol-5-yl)-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethanone has a molecular weight of 369.47 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1,2-oxazol-5-yl)-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethanone is sourced from PubChem (CID 155506908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).