1-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone

C24H26N2O4 — CID 125007547

IUPAC1-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone
SMILESCOc1ccccc1OCC(=O)N1CCC[C@@H](c2ncc(Cc3ccccc3)o2)C1
InChIInChI=1S/C24H26N2O4/c1-28-21-11-5-6-12-22(21)29-17-23(27)26-13-7-10-19(16-26)24-25-15-20(30-24)14-18-8-3-2-4-9-18/h2-6,8-9,11-12,15,19H,7,10,13-14,16-17H2,1H3/t19-/m1/s1
InChIKeyUOJJAQNMJCXEGB-LJQANCHMSA-N
MW406.48 g/mol
LogP4.06
Rot. Bonds7

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

1-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone (PubChem CID 125007547) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is 1-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone.

Molecular Properties

Compound Name1-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone
PubChem CID125007547
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Name1-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone
SMILESCOc1ccccc1OCC(=O)N1CCC[C@@H](c2ncc(Cc3ccccc3)o2)C1
InChIInChI=1S/C24H26N2O4/c1-28-21-11-5-6-12-22(21)29-17-23(27)26-13-7-10-19(16-26)24-25-15-20(30-24)14-18-8-3-2-4-9-18/h2-6,8-9,11-12,15,19H,7,10,13-14,16-17H2,1H3/t19-/m1/s1
InChIKeyUOJJAQNMJCXEGB-LJQANCHMSA-N
XLogP4.06
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone with MolForge

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Related Compounds

1-[(3S)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 124980496
1-[3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(2,6-dimethoxyphenoxy)ethanone
CID 132779987
1-[(3S)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-(2,6-dimethylphenoxy)ethanone
CID 125001091
2-(2,6-dimethoxyphenoxy)-1-[3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
CID 132779828
1-[3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-(2,4-difluorophenoxy)ethanone
CID 110119807
2-(2,6-dimethoxyphenoxy)-1-[(3S)-3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
CID 129454065
1-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 125017490
1-[(3R)-3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-methoxyethanone
CID 124990410
1-[(3S)-3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 124963887
2-(4-methoxyphenoxy)-1-[3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
CID 110119432
2-(2,4-difluorophenoxy)-1-[(3S)-3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
CID 124947189
2-ethoxy-1-[(3R)-3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
CID 125009758

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone?
The IUPAC name of 1-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone (CID 125007547) is 1-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone.
What is the SMILES notation for 1-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone?
The canonical SMILES for 1-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone is COc1ccccc1OCC(=O)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-(2-methoxyphenoxy)ethanone?
The InChIKey is UOJJAQNMJCXEGB-LJQANCHMSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-28-21-11-5-6-12-22(21)29-17-23(27)26-13-7-10-19(16-26)24-25-15-20(30-24)14-18-8-3-2-4-9-18/h2-6,8-9,11-12,15,19H,7,10,13-14,16-17H2,1H3/t19-/m1/s1.
What are the key properties of 1-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone?
1-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone has a molecular weight of 406.48 g/mol, XLogP of 4.06, 7 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-(2-methoxyphenoxy)ethanone is sourced from PubChem (CID 125007547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).