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

C22H23N3O3 — CID 125161463

IUPAC[3-[(3-methoxyphenyl)methyl]-1,2-oxazol-5-yl]-[(2R)-2-pyridin-2-ylpiperidin-1-yl]methanone
SMILESCOc1cccc(Cc2cc(C(=O)N3CCCC[C@@H]3c3ccccn3)on2)c1
InChIInChI=1S/C22H23N3O3/c1-27-18-8-6-7-16(14-18)13-17-15-21(28-24-17)22(26)25-12-5-3-10-20(25)19-9-2-4-11-23-19/h2,4,6-9,11,14-15,20H,3,5,10,12-13H2,1H3/t20-/m1/s1
InChIKeyKSGPQQPOMKIOTE-HXUWFJFHSA-N
MW377.44 g/mol
LogP4.04
Rot. Bonds5

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

[3-[(3-methoxyphenyl)methyl]-1,2-oxazol-5-yl]-[(2R)-2-pyridin-2-ylpiperidin-1-yl]methanone (PubChem CID 125161463) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is [3-[(3-methoxyphenyl)methyl]-1,2-oxazol-5-yl]-[(2R)-2-pyridin-2-ylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-[(3-methoxyphenyl)methyl]-1,2-oxazol-5-yl]-[(2R)-2-pyridin-2-ylpiperidin-1-yl]methanone
PubChem CID125161463
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name[3-[(3-methoxyphenyl)methyl]-1,2-oxazol-5-yl]-[(2R)-2-pyridin-2-ylpiperidin-1-yl]methanone
SMILESCOc1cccc(Cc2cc(C(=O)N3CCCC[C@@H]3c3ccccn3)on2)c1
InChIInChI=1S/C22H23N3O3/c1-27-18-8-6-7-16(14-18)13-17-15-21(28-24-17)22(26)25-12-5-3-10-20(25)19-9-2-4-11-23-19/h2,4,6-9,11,14-15,20H,3,5,10,12-13H2,1H3/t20-/m1/s1
InChIKeyKSGPQQPOMKIOTE-HXUWFJFHSA-N
XLogP4.04
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 ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methanone
CID 132780071
[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 132779752
[2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methanone
CID 110121100
[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-[(2S)-2-pyridin-2-ylpiperidin-1-yl]methanone
CID 95868392
(6-benzyl-3-pyridinyl)-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 132779856
[2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methanone
CID 110120704
[(2S)-2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridazin-4-ylmethanone
CID 124999069
[(2R)-2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridazin-4-ylmethanone
CID 124999070
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[3-[(3-methoxyphenyl)methyl]-1,2-oxazol-5-yl]methanone
CID 26400959
[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 92731587
(5-ethoxyfuran-2-yl)-(2-pyridin-2-ylpiperidin-1-yl)methanone
CID 86285632
(5-ethoxyfuran-2-yl)-[(2R)-2-pyridin-2-ylpiperidin-1-yl]methanone
CID 99976176

Frequently Asked Questions

What is the IUPAC name of [3-[(3-methoxyphenyl)methyl]-1,2-oxazol-5-yl]-[(2R)-2-pyridin-2-ylpiperidin-1-yl]methanone?
The IUPAC name of [3-[(3-methoxyphenyl)methyl]-1,2-oxazol-5-yl]-[(2R)-2-pyridin-2-ylpiperidin-1-yl]methanone (CID 125161463) is [3-[(3-methoxyphenyl)methyl]-1,2-oxazol-5-yl]-[(2R)-2-pyridin-2-ylpiperidin-1-yl]methanone.
What is the SMILES notation for [3-[(3-methoxyphenyl)methyl]-1,2-oxazol-5-yl]-[(2R)-2-pyridin-2-ylpiperidin-1-yl]methanone?
The canonical SMILES for [3-[(3-methoxyphenyl)methyl]-1,2-oxazol-5-yl]-[(2R)-2-pyridin-2-ylpiperidin-1-yl]methanone is COc1cccc(Cc2cc(C(=O)N3CCCC[C@@H]3c3ccccn3)on2)c1.
What is the InChIKey of [3-[(3-methoxyphenyl)methyl]-1,2-oxazol-5-yl]-[(2R)-2-pyridin-2-ylpiperidin-1-yl]methanone?
The InChIKey is KSGPQQPOMKIOTE-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-27-18-8-6-7-16(14-18)13-17-15-21(28-24-17)22(26)25-12-5-3-10-20(25)19-9-2-4-11-23-19/h2,4,6-9,11,14-15,20H,3,5,10,12-13H2,1H3/t20-/m1/s1.
What are the key properties of [3-[(3-methoxyphenyl)methyl]-1,2-oxazol-5-yl]-[(2R)-2-pyridin-2-ylpiperidin-1-yl]methanone?
[3-[(3-methoxyphenyl)methyl]-1,2-oxazol-5-yl]-[(2R)-2-pyridin-2-ylpiperidin-1-yl]methanone has a molecular weight of 377.44 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-methoxyphenyl)methyl]-1,2-oxazol-5-yl]-[(2R)-2-pyridin-2-ylpiperidin-1-yl]methanone is sourced from PubChem (CID 125161463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).