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

C24H22N4O2S — CID 124977036

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

[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[2-(1,3-thiazol-5-yl)-3-pyridinyl]methanone (PubChem CID 124977036) has the molecular formula C24H22N4O2S and a molecular weight of 430.53 g/mol. Its IUPAC name is [(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[2-(1,3-thiazol-5-yl)-3-pyridinyl]methanone.

Molecular Properties

• Compound Name: [(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[2-(1,3-thiazol-5-yl)-3-pyridinyl]methanone
• PubChem CID: 124977036
• Molecular Formula: C24H22N4O2S
• Molecular Weight: 430.53 g/mol
• Exact Mass: 430.15
• IUPAC Name: [(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[2-(1,3-thiazol-5-yl)-3-pyridinyl]methanone
• SMILES: O=C(c1cccnc1-c1cncs1)N1CCCC[C@@H]1c1ncc(Cc2ccccc2)o1
• InChI: InChI=1S/C24H22N4O2S/c29-24(19-9-6-11-26-22(19)21-15-25-16-31-21)28-12-5-4-10-20(28)23-27-14-18(30-23)13-17-7-2-1-3-8-17/h1-3,6-9,11,14-16,20H,4-5,10,12-13H2/t20-/m1/s1
• InChIKey: LJOPMLXABZBNTJ-HXUWFJFHSA-N
• XLogP: 5.15
• TPSA: 72.12 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	430.53
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[2-(1,3-thiazol-5-yl)-3-pyridinyl]methanone?

The IUPAC name of [(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[2-(1,3-thiazol-5-yl)-3-pyridinyl]methanone (CID 124977036) is [(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[2-(1,3-thiazol-5-yl)-3-pyridinyl]methanone.

What is the SMILES notation for [(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[2-(1,3-thiazol-5-yl)-3-pyridinyl]methanone?

The canonical SMILES for [(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[2-(1,3-thiazol-5-yl)-3-pyridinyl]methanone is O=C(c1cccnc1-c1cncs1)N1CCCC[C@@H]1c1ncc(Cc2ccccc2)o1.

What is the InChIKey of [(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[2-(1,3-thiazol-5-yl)-3-pyridinyl]methanone?

The InChIKey is LJOPMLXABZBNTJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H22N4O2S/c29-24(19-9-6-11-26-22(19)21-15-25-16-31-21)28-12-5-4-10-20(28)23-27-14-18(30-23)13-17-7-2-1-3-8-17/h1-3,6-9,11,14-16,20H,4-5,10,12-13H2/t20-/m1/s1.

What are the key properties of [(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[2-(1,3-thiazol-5-yl)-3-pyridinyl]methanone?

[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[2-(1,3-thiazol-5-yl)-3-pyridinyl]methanone has a molecular weight of 430.53 g/mol, XLogP of 5.15, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[2-(1,3-thiazol-5-yl)-3-pyridinyl]methanone is sourced from PubChem (CID 124977036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).