[(3S)-3-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone

C20H19ClN4O2 — CID 125020504

About [(3S)-3-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone

[(3S)-3-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 125020504) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is [(3S)-3-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

• Compound Name: [(3S)-3-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
• PubChem CID: 125020504
• Molecular Formula: C20H19ClN4O2
• Molecular Weight: 382.85 g/mol
• Exact Mass: 382.12
• IUPAC Name: [(3S)-3-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
• SMILES: O=C(c1cnccn1)N1CCC[C@H](c2ncc(Cc3ccccc3Cl)o2)C1
• InChI: InChI=1S/C20H19ClN4O2/c21-17-6-2-1-4-14(17)10-16-11-24-19(27-16)15-5-3-9-25(13-15)20(26)18-12-22-7-8-23-18/h1-2,4,6-8,11-12,15H,3,5,9-10,13H2/t15-/m0/s1
• InChIKey: YDEXSPOEVNRATC-HNNXBMFYSA-N
• XLogP: 3.73
• TPSA: 72.12 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.85
LogP ≤ 5	3.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone?

The IUPAC name of [(3S)-3-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone (CID 125020504) is [(3S)-3-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone.

What is the SMILES notation for [(3S)-3-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone?

The canonical SMILES for [(3S)-3-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone is O=C(c1cnccn1)N1CCC[C@H](c2ncc(Cc3ccccc3Cl)o2)C1.

What is the InChIKey of [(3S)-3-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone?

The InChIKey is YDEXSPOEVNRATC-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c21-17-6-2-1-4-14(17)10-16-11-24-19(27-16)15-5-3-9-25(13-15)20(26)18-12-22-7-8-23-18/h1-2,4,6-8,11-12,15H,3,5,9-10,13H2/t15-/m0/s1.

What are the key properties of [(3S)-3-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone?

[(3S)-3-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 382.85 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(3S)-3-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 125020504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).