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

C22H23N3O3 — CID 124941699

IUPAC1-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-pyridin-3-yloxyethanone
SMILESO=C(COc1cccnc1)N1CCCC[C@@H]1c1ncc(Cc2ccccc2)o1
InChIInChI=1S/C22H23N3O3/c26-21(16-27-18-9-6-11-23-14-18)25-12-5-4-10-20(25)22-24-15-19(28-22)13-17-7-2-1-3-8-17/h1-3,6-9,11,14-15,20H,4-5,10,12-13,16H2/t20-/m1/s1
InChIKeyAPDMTFINZGJNDO-HXUWFJFHSA-N
MW377.44 g/mol
LogP3.79
Rot. Bonds6

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

1-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-pyridin-3-yloxyethanone (PubChem CID 124941699) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 1-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-pyridin-3-yloxyethanone.

Molecular Properties

Compound Name1-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-pyridin-3-yloxyethanone
PubChem CID124941699
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name1-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-pyridin-3-yloxyethanone
SMILESO=C(COc1cccnc1)N1CCCC[C@@H]1c1ncc(Cc2ccccc2)o1
InChIInChI=1S/C22H23N3O3/c26-21(16-27-18-9-6-11-23-14-18)25-12-5-4-10-20(25)22-24-15-19(28-22)13-17-7-2-1-3-8-17/h1-3,6-9,11,14-15,20H,4-5,10,12-13,16H2/t20-/m1/s1
InChIKeyAPDMTFINZGJNDO-HXUWFJFHSA-N
XLogP3.79
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 ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-[2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 110120718
1-[(2R)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 125002431
1-[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-methoxyethanone
CID 124955389
1-[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 124949631
1-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 125017490
1-[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-phenoxyethanone
CID 129454193
2-(3-fluorophenoxy)-1-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]ethanone
CID 124967242
1-[(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(4-methoxyphenoxy)ethanone
CID 124961639
1-[2-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 124969994
1-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-(2-ethylimidazol-1-yl)ethanone
CID 124951119
[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(1,3-oxazol-5-yl)methanone
CID 124972691
2-ethoxy-1-[(2S)-2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
CID 125006300

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-pyridin-3-yloxyethanone?
The IUPAC name of 1-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-pyridin-3-yloxyethanone (CID 124941699) is 1-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-pyridin-3-yloxyethanone.
What is the SMILES notation for 1-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-pyridin-3-yloxyethanone?
The canonical SMILES for 1-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-pyridin-3-yloxyethanone is O=C(COc1cccnc1)N1CCCC[C@@H]1c1ncc(Cc2ccccc2)o1.
What is the InChIKey of 1-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-pyridin-3-yloxyethanone?
The InChIKey is APDMTFINZGJNDO-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H23N3O3/c26-21(16-27-18-9-6-11-23-14-18)25-12-5-4-10-20(25)22-24-15-19(28-22)13-17-7-2-1-3-8-17/h1-3,6-9,11,14-15,20H,4-5,10,12-13,16H2/t20-/m1/s1.
What are the key properties of 1-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-pyridin-3-yloxyethanone?
1-[(2R)-2-(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 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-pyridin-3-yloxyethanone is sourced from PubChem (CID 124941699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).