[(3R)-3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone

C22H23N3O3 — CID 124945906

IUPAC[(3R)-3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
SMILESCOc1ccccc1Cc1cnc([C@@H]2CCCN(C(=O)c3cccnc3)C2)o1
InChIInChI=1S/C22H23N3O3/c1-27-20-9-3-2-6-16(20)12-19-14-24-21(28-19)18-8-5-11-25(15-18)22(26)17-7-4-10-23-13-17/h2-4,6-7,9-10,13-14,18H,5,8,11-12,15H2,1H3/t18-/m1/s1
InChIKeyBUKJLEDWHIMAHO-GOSISDBHSA-N
MW377.44 g/mol
LogP3.69
Rot. Bonds5

About [(3R)-3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone

[(3R)-3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone (PubChem CID 124945906) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is [(3R)-3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[(3R)-3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
PubChem CID124945906
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name[(3R)-3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
SMILESCOc1ccccc1Cc1cnc([C@@H]2CCCN(C(=O)c3cccnc3)C2)o1
InChIInChI=1S/C22H23N3O3/c1-27-20-9-3-2-6-16(20)12-19-14-24-21(28-19)18-8-5-11-25(15-18)22(26)17-7-4-10-23-13-17/h2-4,6-7,9-10,13-14,18H,5,8,11-12,15H2,1H3/t18-/m1/s1
InChIKeyBUKJLEDWHIMAHO-GOSISDBHSA-N
XLogP3.69
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3R)-3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone with MolForge

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Related Compounds

[(3R)-3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 125018162
(6-benzyl-3-pyridinyl)-[(3R)-3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 129458490
[(3R)-3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanone
CID 124942817
[3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 110120003
[(3S)-3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 125023195
[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[2-[(2-methoxyphenyl)methyl]-4-pyridinyl]methanone
CID 129455103
[3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methylpyrimidin-4-yl)methanone
CID 110120018
[(3S)-3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methylpyrimidin-4-yl)methanone
CID 124962015
[3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[2-(4-methyl-1,3-thiazol-5-yl)-4-pyridinyl]methanone
CID 110133751
[(3R)-3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[2-(4-methyl-1,3-thiazol-5-yl)-4-pyridinyl]methanone
CID 124985420
[(3R)-3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 124942086
1-[(3S)-3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone
CID 124995446

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [(3R)-3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone (CID 124945906) is [(3R)-3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [(3R)-3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [(3R)-3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone is COc1ccccc1Cc1cnc([C@@H]2CCCN(C(=O)c3cccnc3)C2)o1.
What is the InChIKey of [(3R)-3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is BUKJLEDWHIMAHO-GOSISDBHSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-27-20-9-3-2-6-16(20)12-19-14-24-21(28-19)18-8-5-11-25(15-18)22(26)17-7-4-10-23-13-17/h2-4,6-7,9-10,13-14,18H,5,8,11-12,15H2,1H3/t18-/m1/s1.
What are the key properties of [(3R)-3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
[(3R)-3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 377.44 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 124945906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).