1-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-pyridin-3-yloxyethanone

C22H23N3O3 — CID 125017490

IUPAC1-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-pyridin-3-yloxyethanone
SMILESO=C(COc1cccnc1)N1CCC[C@@H](c2ncc(Cc3ccccc3)o2)C1
InChIInChI=1S/C22H23N3O3/c26-21(16-27-19-9-4-10-23-13-19)25-11-5-8-18(15-25)22-24-14-20(28-22)12-17-6-2-1-3-7-17/h1-4,6-7,9-10,13-14,18H,5,8,11-12,15-16H2/t18-/m1/s1
InChIKeyXHTHTAFBIRLUPX-GOSISDBHSA-N
MW377.44 g/mol
LogP3.45
Rot. Bonds6

About 1-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-pyridin-3-yloxyethanone

1-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-pyridin-3-yloxyethanone (PubChem CID 125017490) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 1-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-pyridin-3-yloxyethanone.

Molecular Properties

Compound Name1-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-pyridin-3-yloxyethanone
PubChem CID125017490
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name1-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-pyridin-3-yloxyethanone
SMILESO=C(COc1cccnc1)N1CCC[C@@H](c2ncc(Cc3ccccc3)o2)C1
InChIInChI=1S/C22H23N3O3/c26-21(16-27-19-9-4-10-23-13-19)25-11-5-8-18(15-25)22-24-14-20(28-22)12-17-6-2-1-3-7-17/h1-4,6-7,9-10,13-14,18H,5,8,11-12,15-16H2/t18-/m1/s1
InChIKeyXHTHTAFBIRLUPX-GOSISDBHSA-N
XLogP3.45
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-pyridin-3-yloxyethanone 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-[(3R)-3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 124996174
1-[(3R)-3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 124948495
1-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 125007547
1-[(3S)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-(2,6-dimethylphenoxy)ethanone
CID 125001091
1-[2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 110120718
1-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 124941699
1-[3-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-phenoxyethanone
CID 110119758
2-(4-methoxyphenoxy)-1-[3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
CID 110119432
1-[3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-(2,4-difluorophenoxy)ethanone
CID 110119807
2-(4-fluorophenoxy)-1-[(3S)-3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
CID 124960666
[3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 110119777
[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-pyridazin-4-ylmethanone
CID 124948499

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-pyridin-3-yloxyethanone?
The IUPAC name of 1-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-pyridin-3-yloxyethanone (CID 125017490) is 1-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-pyridin-3-yloxyethanone.
What is the SMILES notation for 1-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-pyridin-3-yloxyethanone?
The canonical SMILES for 1-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-pyridin-3-yloxyethanone is O=C(COc1cccnc1)N1CCC[C@@H](c2ncc(Cc3ccccc3)o2)C1.
What is the InChIKey of 1-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-pyridin-3-yloxyethanone?
The InChIKey is XHTHTAFBIRLUPX-GOSISDBHSA-N. The full InChI is InChI=1S/C22H23N3O3/c26-21(16-27-19-9-4-10-23-13-19)25-11-5-8-18(15-25)22-24-14-20(28-22)12-17-6-2-1-3-7-17/h1-4,6-7,9-10,13-14,18H,5,8,11-12,15-16H2/t18-/m1/s1.
What are the key properties of 1-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-pyridin-3-yloxyethanone?
1-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-pyridin-3-yloxyethanone has a molecular weight of 377.44 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-pyridin-3-yloxyethanone is sourced from PubChem (CID 125017490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).