[3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone

C21H21N3O3 — CID 110119777

IUPAC[3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
SMILESO=C(c1ncccc1O)N1CCCC(c2ncc(Cc3ccccc3)o2)C1
InChIInChI=1S/C21H21N3O3/c25-18-9-4-10-22-19(18)21(26)24-11-5-8-16(14-24)20-23-13-17(27-20)12-15-6-2-1-3-7-15/h1-4,6-7,9-10,13,16,25H,5,8,11-12,14H2
InChIKeyYGUMWJBZYRPUHV-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.39
Rot. Bonds4

About [3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone

[3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone (PubChem CID 110119777) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is [3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone.

Molecular Properties

Compound Name[3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
PubChem CID110119777
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name[3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
SMILESO=C(c1ncccc1O)N1CCCC(c2ncc(Cc3ccccc3)o2)C1
InChIInChI=1S/C21H21N3O3/c25-18-9-4-10-22-19(18)21(26)24-11-5-8-16(14-24)20-23-13-17(27-20)12-15-6-2-1-3-7-15/h1-4,6-7,9-10,13,16,25H,5,8,11-12,14H2
InChIKeyYGUMWJBZYRPUHV-UHFFFAOYSA-N
XLogP3.39
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(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
[3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 110119365
[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(5-ethyl-4-methyl-1H-pyrazol-3-yl)methanone
CID 124948971
[(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
[(3S)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[2-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]methanone
CID 124999880
[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[2-(1,3-thiazol-5-yl)-3-pyridinyl]methanone
CID 124987206
[(3S)-3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(3-methyl-2-pyridinyl)methanone
CID 124995619
1-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 125017490
[3-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(3-methyl-2-pyridinyl)methanone
CID 110119845
[(3S)-3-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(3-methyl-2-pyridinyl)methanone
CID 124976563

Frequently Asked Questions

What is the IUPAC name of [3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone?
The IUPAC name of [3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone (CID 110119777) is [3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone.
What is the SMILES notation for [3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone?
The canonical SMILES for [3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone is O=C(c1ncccc1O)N1CCCC(c2ncc(Cc3ccccc3)o2)C1.
What is the InChIKey of [3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone?
The InChIKey is YGUMWJBZYRPUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c25-18-9-4-10-22-19(18)21(26)24-11-5-8-16(14-24)20-23-13-17(27-20)12-15-6-2-1-3-7-15/h1-4,6-7,9-10,13,16,25H,5,8,11-12,14H2.
What are the key properties of [3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone?
[3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone has a molecular weight of 363.42 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone is sourced from PubChem (CID 110119777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).