[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]morpholin-4-yl]-(5-methylpyrazin-2-yl)methanone

C20H19FN4O3 — CID 125009992

About [(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]morpholin-4-yl]-(5-methylpyrazin-2-yl)methanone

[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]morpholin-4-yl]-(5-methylpyrazin-2-yl)methanone (PubChem CID 125009992) has the molecular formula C20H19FN4O3 and a molecular weight of 382.40 g/mol. Its IUPAC name is [(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]morpholin-4-yl]-(5-methylpyrazin-2-yl)methanone.

Molecular Properties

• Compound Name: [(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]morpholin-4-yl]-(5-methylpyrazin-2-yl)methanone
• PubChem CID: 125009992
• Molecular Formula: C20H19FN4O3
• Molecular Weight: 382.40 g/mol
• Exact Mass: 382.14
• IUPAC Name: [(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]morpholin-4-yl]-(5-methylpyrazin-2-yl)methanone
• SMILES: Cc1cnc(C(=O)N2CCO[C@H](c3ncc(Cc4ccc(F)cc4)o3)C2)cn1
• InChI: InChI=1S/C20H19FN4O3/c1-13-9-23-17(11-22-13)20(26)25-6-7-27-18(12-25)19-24-10-16(28-19)8-14-2-4-15(21)5-3-14/h2-5,9-11,18H,6-8,12H2,1H3/t18-/m0/s1
• InChIKey: VGFWFJNKZUTJAF-SFHVURJKSA-N
• XLogP: 2.72
• TPSA: 81.35 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.40
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]morpholin-4-yl]-(5-methylpyrazin-2-yl)methanone?

The IUPAC name of [(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]morpholin-4-yl]-(5-methylpyrazin-2-yl)methanone (CID 125009992) is [(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]morpholin-4-yl]-(5-methylpyrazin-2-yl)methanone.

What is the SMILES notation for [(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]morpholin-4-yl]-(5-methylpyrazin-2-yl)methanone?

The canonical SMILES for [(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]morpholin-4-yl]-(5-methylpyrazin-2-yl)methanone is Cc1cnc(C(=O)N2CCO[C@H](c3ncc(Cc4ccc(F)cc4)o3)C2)cn1.

What is the InChIKey of [(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]morpholin-4-yl]-(5-methylpyrazin-2-yl)methanone?

The InChIKey is VGFWFJNKZUTJAF-SFHVURJKSA-N. The full InChI is InChI=1S/C20H19FN4O3/c1-13-9-23-17(11-22-13)20(26)25-6-7-27-18(12-25)19-24-10-16(28-19)8-14-2-4-15(21)5-3-14/h2-5,9-11,18H,6-8,12H2,1H3/t18-/m0/s1.

What are the key properties of [(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]morpholin-4-yl]-(5-methylpyrazin-2-yl)methanone?

[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]morpholin-4-yl]-(5-methylpyrazin-2-yl)methanone has a molecular weight of 382.40 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]morpholin-4-yl]-(5-methylpyrazin-2-yl)methanone is sourced from PubChem (CID 125009992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).