1-[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-methoxyethanone

C18H22N2O3 — CID 124955389

IUPAC1-[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCCC[C@H]1c1ncc(Cc2ccccc2)o1
InChIInChI=1S/C18H22N2O3/c1-22-13-17(21)20-10-6-5-9-16(20)18-19-12-15(23-18)11-14-7-3-2-4-8-14/h2-4,7-8,12,16H,5-6,9-11,13H2,1H3/t16-/m0/s1
InChIKeyFJMFBJDGYHLQSL-INIZCTEOSA-N
MW314.38 g/mol
LogP2.97
Rot. Bonds5

About 1-[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-methoxyethanone

1-[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-methoxyethanone (PubChem CID 124955389) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is 1-[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-methoxyethanone
PubChem CID124955389
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name1-[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCCC[C@H]1c1ncc(Cc2ccccc2)o1
InChIInChI=1S/C18H22N2O3/c1-22-13-17(21)20-10-6-5-9-16(20)18-19-12-15(23-18)11-14-7-3-2-4-8-14/h2-4,7-8,12,16H,5-6,9-11,13H2,1H3/t16-/m0/s1
InChIKeyFJMFBJDGYHLQSL-INIZCTEOSA-N
XLogP2.97
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-methoxyethanone 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-[(2S)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-methoxyethanone
CID 124949491
1-[(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-methoxyethanone
CID 125020215
1-[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 124949631
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-[(2R)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(2-methoxyethoxy)ethanone
CID 124979967
1-[2-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 124969994
[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 124948609
1-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-(2-ethylimidazol-1-yl)ethanone
CID 124951119
2-ethoxy-1-[(2S)-2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
CID 125006300
1-[(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(4-methoxyphenoxy)ethanone
CID 124961639
1-[2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 155983766

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-methoxyethanone (CID 124955389) is 1-[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-methoxyethanone is COCC(=O)N1CCCC[C@H]1c1ncc(Cc2ccccc2)o1.
What is the InChIKey of 1-[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-methoxyethanone?
The InChIKey is FJMFBJDGYHLQSL-INIZCTEOSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-22-13-17(21)20-10-6-5-9-16(20)18-19-12-15(23-18)11-14-7-3-2-4-8-14/h2-4,7-8,12,16H,5-6,9-11,13H2,1H3/t16-/m0/s1.
What are the key properties of 1-[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-methoxyethanone?
1-[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-methoxyethanone has a molecular weight of 314.38 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 124955389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).