1-[(3S)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-methoxy-2-methylpropan-1-one

C20H26N2O3 — CID 125018171

IUPAC1-[(3S)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-methoxy-2-methylpropan-1-one
SMILESCOC(C)(C)C(=O)N1CCC[C@H](c2ncc(Cc3ccccc3)o2)C1
InChIInChI=1S/C20H26N2O3/c1-20(2,24-3)19(23)22-11-7-10-16(14-22)18-21-13-17(25-18)12-15-8-5-4-6-9-15/h4-6,8-9,13,16H,7,10-12,14H2,1-3H3/t16-/m0/s1
InChIKeyXMRXBFJUNQMITB-INIZCTEOSA-N
MW342.44 g/mol
LogP3.40
Rot. Bonds5

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

1-[(3S)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-methoxy-2-methylpropan-1-one (PubChem CID 125018171) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[(3S)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-methoxy-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[(3S)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-methoxy-2-methylpropan-1-one
PubChem CID125018171
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name1-[(3S)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-methoxy-2-methylpropan-1-one
SMILESCOC(C)(C)C(=O)N1CCC[C@H](c2ncc(Cc3ccccc3)o2)C1
InChIInChI=1S/C20H26N2O3/c1-20(2,24-3)19(23)22-11-7-10-16(14-22)18-21-13-17(25-18)12-15-8-5-4-6-9-15/h4-6,8-9,13,16H,7,10-12,14H2,1-3H3/t16-/m0/s1
InChIKeyXMRXBFJUNQMITB-INIZCTEOSA-N
XLogP3.40
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(3S)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-methoxy-2-methylpropan-1-one with MolForge

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Launch Full Analysis

Related Compounds

1-[3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-methoxy-2-methylpropan-1-one
CID 110120000
1-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-(4-fluorophenoxy)-2-methylpropan-1-one
CID 124988391
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
[(3S)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-pyridazin-4-ylmethanone
CID 124948498
[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-pyridazin-4-ylmethanone
CID 124948499
[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 124952533
[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 124957437
[3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 110119777
1-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 125017490
(2-benzyl-4-pyridinyl)-[3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 132779855
6-[3-(5-benzyl-1,3-oxazol-2-yl)piperidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione
CID 110133724

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-methoxy-2-methylpropan-1-one?
The IUPAC name of 1-[(3S)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-methoxy-2-methylpropan-1-one (CID 125018171) is 1-[(3S)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-methoxy-2-methylpropan-1-one.
What is the SMILES notation for 1-[(3S)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-methoxy-2-methylpropan-1-one?
The canonical SMILES for 1-[(3S)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-methoxy-2-methylpropan-1-one is COC(C)(C)C(=O)N1CCC[C@H](c2ncc(Cc3ccccc3)o2)C1.
What is the InChIKey of 1-[(3S)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-methoxy-2-methylpropan-1-one?
The InChIKey is XMRXBFJUNQMITB-INIZCTEOSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-20(2,24-3)19(23)22-11-7-10-16(14-22)18-21-13-17(25-18)12-15-8-5-4-6-9-15/h4-6,8-9,13,16H,7,10-12,14H2,1-3H3/t16-/m0/s1.
What are the key properties of 1-[(3S)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-methoxy-2-methylpropan-1-one?
1-[(3S)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-methoxy-2-methylpropan-1-one has a molecular weight of 342.44 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-methoxy-2-methylpropan-1-one is sourced from PubChem (CID 125018171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).