3-[2-[1-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]piperidin-2-yl]ethyl]phenol

C22H25N3O2 — CID 56914006

IUPAC3-[2-[1-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]piperidin-2-yl]ethyl]phenol
SMILESOc1cccc(CCC2CCCCN2Cc2cc(-c3ccccn3)no2)c1
InChIInChI=1S/C22H25N3O2/c26-19-8-5-6-17(14-19)10-11-18-7-2-4-13-25(18)16-20-15-22(24-27-20)21-9-1-3-12-23-21/h1,3,5-6,8-9,12,14-15,18,26H,2,4,7,10-11,13,16H2
InChIKeyXSLUQESPUGEZJG-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.43
Rot. Bonds6

About 3-[2-[1-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]piperidin-2-yl]ethyl]phenol

3-[2-[1-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]piperidin-2-yl]ethyl]phenol (PubChem CID 56914006) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 3-[2-[1-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]piperidin-2-yl]ethyl]phenol.

Molecular Properties

Compound Name3-[2-[1-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]piperidin-2-yl]ethyl]phenol
PubChem CID56914006
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name3-[2-[1-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]piperidin-2-yl]ethyl]phenol
SMILESOc1cccc(CCC2CCCCN2Cc2cc(-c3ccccn3)no2)c1
InChIInChI=1S/C22H25N3O2/c26-19-8-5-6-17(14-19)10-11-18-7-2-4-13-25(18)16-20-15-22(24-27-20)21-9-1-3-12-23-21/h1,3,5-6,8-9,12,14-15,18,26H,2,4,7,10-11,13,16H2
InChIKeyXSLUQESPUGEZJG-UHFFFAOYSA-N
XLogP4.43
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-[(2R)-1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-2-yl]ethyl]phenol
CID 164641718
3-[2-[1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-2-yl]ethyl]phenol
CID 131907120
3-phenyl-1-[(3R)-1-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]propan-1-one
CID 95714413
4-[[(2S)-2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]methyl]-1-methylpyrrole-2-carbonitrile
CID 95706816
5-[[2-[2-(1-methylimidazol-2-yl)ethyl]piperidin-1-yl]methyl]-3-(4-methylphenyl)-1,2-oxazole
CID 70756651
2-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]ethanol
CID 62020101
1-[2-[(2S)-2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one
CID 95550989
3-[2-(1-methylpyrrolidin-2-yl)ethyl]phenol
CID 84673587
N,N-dimethyl-2-[(2R)-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]piperidin-2-yl]ethanamine
CID 95874368
(2-amino-4-pyridinyl)-[2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]methanone
CID 70737293
1-[(2R)-2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]-2-pyridin-3-ylethane-1,2-dione
CID 95477017
3-[2-[(2R)-1-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]phenol
CID 25453064

Frequently Asked Questions

What is the IUPAC name of 3-[2-[1-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]piperidin-2-yl]ethyl]phenol?
The IUPAC name of 3-[2-[1-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]piperidin-2-yl]ethyl]phenol (CID 56914006) is 3-[2-[1-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]piperidin-2-yl]ethyl]phenol.
What is the SMILES notation for 3-[2-[1-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]piperidin-2-yl]ethyl]phenol?
The canonical SMILES for 3-[2-[1-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]piperidin-2-yl]ethyl]phenol is Oc1cccc(CCC2CCCCN2Cc2cc(-c3ccccn3)no2)c1.
What is the InChIKey of 3-[2-[1-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]piperidin-2-yl]ethyl]phenol?
The InChIKey is XSLUQESPUGEZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c26-19-8-5-6-17(14-19)10-11-18-7-2-4-13-25(18)16-20-15-22(24-27-20)21-9-1-3-12-23-21/h1,3,5-6,8-9,12,14-15,18,26H,2,4,7,10-11,13,16H2.
What are the key properties of 3-[2-[1-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]piperidin-2-yl]ethyl]phenol?
3-[2-[1-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]piperidin-2-yl]ethyl]phenol has a molecular weight of 363.46 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[1-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]piperidin-2-yl]ethyl]phenol is sourced from PubChem (CID 56914006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).