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

C25H23N5O2 — CID 124976109

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

[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone (PubChem CID 124976109) has the molecular formula C25H23N5O2 and a molecular weight of 425.49 g/mol. Its IUPAC name is [(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone.

Molecular Properties

• Compound Name: [(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone
• PubChem CID: 124976109
• Molecular Formula: C25H23N5O2
• Molecular Weight: 425.49 g/mol
• Exact Mass: 425.19
• IUPAC Name: [(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone
• SMILES: O=C(c1cccc(-c2cncnc2)n1)N1CCCC[C@H]1c1ncc(Cc2ccccc2)o1
• InChI: InChI=1S/C25H23N5O2/c31-25(22-10-6-9-21(29-22)19-14-26-17-27-15-19)30-12-5-4-11-23(30)24-28-16-20(32-24)13-18-7-2-1-3-8-18/h1-3,6-10,14-17,23H,4-5,11-13H2/t23-/m0/s1
• InChIKey: LCZMJASYKDFVOV-QHCPKHFHSA-N
• XLogP: 4.48
• TPSA: 85.01 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.49
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone?

The IUPAC name of [(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone (CID 124976109) is [(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone.

What is the SMILES notation for [(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone?

The canonical SMILES for [(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone is O=C(c1cccc(-c2cncnc2)n1)N1CCCC[C@H]1c1ncc(Cc2ccccc2)o1.

What is the InChIKey of [(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone?

The InChIKey is LCZMJASYKDFVOV-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H23N5O2/c31-25(22-10-6-9-21(29-22)19-14-26-17-27-15-19)30-12-5-4-11-23(30)24-28-16-20(32-24)13-18-7-2-1-3-8-18/h1-3,6-10,14-17,23H,4-5,11-13H2/t23-/m0/s1.

What are the key properties of [(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone?

[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone has a molecular weight of 425.49 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 6 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-pyrimidin-5-yl-2-pyridinyl)methanone is sourced from PubChem (CID 124976109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).