[(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone

C25H22FN5O2 — CID 124972895

About [(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone

[(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone (PubChem CID 124972895) has the molecular formula C25H22FN5O2 and a molecular weight of 443.48 g/mol. Its IUPAC name is [(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone.

Molecular Properties

• Compound Name: [(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone
• PubChem CID: 124972895
• Molecular Formula: C25H22FN5O2
• Molecular Weight: 443.48 g/mol
• Exact Mass: 443.18
• IUPAC Name: [(2R)-2-[5-[(4-fluorophenyl)methyl]-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(Cc2ccc(F)cc2)o1
• InChI: InChI=1S/C25H22FN5O2/c26-19-9-7-17(8-10-19)12-20-15-29-24(33-20)23-6-1-2-11-31(23)25(32)22-5-3-4-21(30-22)18-13-27-16-28-14-18/h3-5,7-10,13-16,23H,1-2,6,11-12H2/t23-/m1/s1
• InChIKey: KGNWRAMXOXAVIZ-HSZRJFAPSA-N
• XLogP: 4.62
• TPSA: 85.01 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.48
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone?

The IUPAC name of [(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone (CID 124972895) is [(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone.

What is the SMILES notation for [(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone?

The canonical SMILES for [(2R)-2-[5-[(4-fluorophenyl)methyl]-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(Cc2ccc(F)cc2)o1.

What is the InChIKey of [(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone?

The InChIKey is KGNWRAMXOXAVIZ-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H22FN5O2/c26-19-9-7-17(8-10-19)12-20-15-29-24(33-20)23-6-1-2-11-31(23)25(32)22-5-3-4-21(30-22)18-13-27-16-28-14-18/h3-5,7-10,13-16,23H,1-2,6,11-12H2/t23-/m1/s1.

What are the key properties of [(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone?

[(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone has a molecular weight of 443.48 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone is sourced from PubChem (CID 124972895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).