[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone

C22H23N3O3 — CID 124948609

IUPAC[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
SMILESCOc1ccc(C(=O)N2CCCC[C@H]2c2ncc(Cc3ccccc3)o2)cn1
InChIInChI=1S/C22H23N3O3/c1-27-20-11-10-17(14-23-20)22(26)25-12-6-5-9-19(25)21-24-15-18(28-21)13-16-7-3-2-4-8-16/h2-4,7-8,10-11,14-15,19H,5-6,9,12-13H2,1H3/t19-/m0/s1
InChIKeyCODBEDCNQKXHFN-IBGZPJMESA-N
MW377.44 g/mol
LogP4.04
Rot. Bonds5

About [(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone

[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone (PubChem CID 124948609) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is [(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
PubChem CID124948609
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
SMILESCOc1ccc(C(=O)N2CCCC[C@H]2c2ncc(Cc3ccccc3)o2)cn1
InChIInChI=1S/C22H23N3O3/c1-27-20-11-10-17(14-23-20)22(26)25-12-6-5-9-19(25)21-24-15-18(28-21)13-16-7-3-2-4-8-16/h2-4,7-8,10-11,14-15,19H,5-6,9,12-13H2,1H3/t19-/m0/s1
InChIKeyCODBEDCNQKXHFN-IBGZPJMESA-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 [(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone with MolForge

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Related Compounds

[(2R)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 124964152
(6-benzyl-3-pyridinyl)-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 132779856
[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]-phenylmethanone
CID 124998094
[2-(5-benzyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]-phenylmethanone
CID 110131433
[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[6-[(4-fluorophenyl)methyl]-3-pyridinyl]methanone
CID 129454478
[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[6-[(4-fluorophenyl)methyl]-3-pyridinyl]methanone
CID 129454479
1-[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-methoxyethanone
CID 124955389
[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[5-[(3-methoxyphenyl)methyl]-3-pyridinyl]methanone
CID 129454739
[(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)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(1,3-oxazol-5-yl)methanone
CID 124972691
[2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methanone
CID 110120704

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone?
The IUPAC name of [(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone (CID 124948609) is [(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone.
What is the SMILES notation for [(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone?
The canonical SMILES for [(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone is COc1ccc(C(=O)N2CCCC[C@H]2c2ncc(Cc3ccccc3)o2)cn1.
What is the InChIKey of [(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone?
The InChIKey is CODBEDCNQKXHFN-IBGZPJMESA-N. The full InChI is InChI=1S/C22H23N3O3/c1-27-20-11-10-17(14-23-20)22(26)25-12-6-5-9-19(25)21-24-15-18(28-21)13-16-7-3-2-4-8-16/h2-4,7-8,10-11,14-15,19H,5-6,9,12-13H2,1H3/t19-/m0/s1.
What are the key properties of [(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone?
[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(6-methoxy-3-pyridinyl)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 [(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone is sourced from PubChem (CID 124948609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).